SCHEMBL3858280

SCHEMBL3858280

CC(C)(C)c1nnc(-c2ccccc2)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.61
NPC1 O15118 10/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
HPGD P15428 8/20 0.55
POLB P06746 2/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
NOTUM Q6P988 4/20 0.53
ATAD2 Q6PL18 1/20 0.52
ALDH1A1 P00352 6/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 4/20 0.48
MAPT P10636 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GLA P06280 1/20 0.48
ALOX15 P16050 1/20 0.48
TP53 P04637 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL957492 0.96 NPC1 (0.57) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL2612639 0.86 NPC1 (0.49) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL12306748 0.85 NPC1 (0.45) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL24714806 0.85 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL12306753 0.85 NPC1 (0.47) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL15777560 0.85 NPC1 (0.57) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL12721779 0.84 AKT1 (0.50) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL18195112 0.82 NPC1 (0.66) RAB9ANPC1HPGDPOLBNOTUM
SCHEMBL16997497 0.82 NPC1 (0.58) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL16997526 0.82 TP53 (0.63) RAB9ANPC1SMN1; SMN2HPGDATAD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815598-B1 BIPOLAR ELECTROLUMINESCENT DEVICE UNIV OHIO STATE (US) 2006-02-08 EP claimed
EP-0812260-B1 BIPOLAR ELECTROLUMINESCENT DEVICE UNIV OHIO STATE (US) 2003-01-22 EP claimed
CN-119431269-A Method for synthesizing 1,3, 4-oxadiazole compound from 1, 2-dihydrazide compound 浙江工业大学 2025-02-14 CN disclosed
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
CN-116751174-A Synthesis method of aryl substituted 1,3, 4-oxadiazole derivative 铜陵欣诺科新材料有限公司 2023-09-15 CN disclosed
US-11641778-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-05-02 US disclosed
US-11641778-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-05-02 US disclosed
US-11563187-B2 Nitrogen-containing compound-containing compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-24 US disclosed
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-07-28 US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 US disclosed
US-20110230403-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230403-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-09-22 US disclosed
CN-102101852-A Coumarin derivative, preparation method thereof and application thereof in white light organic electroluminescent device CHINESE ACAD TECH INST PHYSICS 2011-06-22 CN disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
US-20100270915-A1 Beta-Diketone Ancillary Ligands and Their Metal Complexes Used in Organic Optoelectronic Devices NATIONAL TSING HUA UNIVERSITY (TW) 2010-10-28 US disclosed
US-20090326016-A1 FUNGICIDAL N-CYCLOALKYL-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-12-31 US disclosed
US-20090326016-A1 FUNGICIDAL N-CYCLOALKYL-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-12-31 US disclosed
EP-2025015-A2 PHOTOACTIVE MATERIALS CONTAINING GROUP IV NANOSTRUCTURES AND OPTOELECTRONIC DEVICES MADE THEREFROM Innovalight, Inc. (US) 2009-02-18 EP disclosed
WO-2008060704-A2 PHOTOACTIVE MATERIALS CONTAINING GROUP IV NANOSTRUCTURES AND OPTOELECTRONIC DEVICES MADE THEREFROM INNOVALIGHT, INC. (US) 2008-05-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 RAB9A 1650/4885NPC1 4417/4885SMN1; SMN2 3696/4885
US-11641778-B2 Compound and organic light emitting device comprising same CRY1, CYP1A1, CRY2 RAB9A 2344/4885NPC1 1521/4885SMN1; SMN2 4261/4885
US-20100270915-A1 Beta-Diketone Ancillary Ligands and Their Metal Complexes Used in Organic Optoelectronic Devices PBK, DEK, OSTC RAB9A 4435/4885NPC1 4443/4885SMN1; SMN2 4813/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD RAB9A 2559/4885NPC1 742/4885SMN1; SMN2 1064/4885
US-20110230403-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, HSD17B14 RAB9A 2444/4885NPC1 190/4885SMN1; SMN2 2750/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 RAB9A 1513/4885NPC1 3672/4885SMN1; SMN2 4512/4885
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 RAB9A 1413/4885NPC1 1243/4885SMN1; SMN2 4030/4885
US-20090326016-A1 FUNGICIDAL N-CYCLOALKYL-CARBOXAMIDE DERIVATIVES CBR3, CBR1, CYCS RAB9A 3331/4885NPC1 1902/4885SMN1; SMN2 3909/4885
US-11563187-B2 Nitrogen-containing compound-containing compound and organic electroluminescence device including the same L1CAM, C1S, CHRM1 RAB9A 2601/4885NPC1 1223/4885SMN1; SMN2 1484/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 RAB9A 1211/4885NPC1 4435/4885SMN1; SMN2 3292/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.