SCHEMBL10039243

SCHEMBL10039243

Cc1nnc(-c2cccc(Cl)c2)o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
TP53 P04637 4/20 0.69
TSHR P16473 3/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
NOTUM Q6P988 3/20 0.64
PIM1 P11309 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
GUSB P08236 1/20 0.51
HPGD P15428 3/20 0.50
ALOX15 P16050 1/20 0.48
MAPT P10636 2/20 0.47
PTK2 Q05397 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL18650263 0.87 NPC1 (0.89) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL11964433 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL3491706 0.82 GSK3B (0.61) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL12974 0.81 HPGD (0.73) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL9341650 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL11812106 0.79 RAB9A (0.70) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL13393581 0.79 TRPM8 (0.60) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL1186494 0.79 GUSB (0.51) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL21776967 0.79 NPC1 (0.69) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL8118542 0.79 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TP53TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 US disclosed
WO-2014036022-A1 QUINAZOLINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. (US) 2014-03-06 WO disclosed
US-20120142676-A1 Oxathiazine and dithiine oxides as inhibitors of sulfhydryl-dependent biomolecules CHEE GAIK-LEAN (CA) 2012-06-07 US disclosed
US-20120142676-A1 Oxathiazine and dithiine oxides as inhibitors of sulfhydryl-dependent biomolecules CHEE GAIK-LEAN (CA) 2012-06-07 US disclosed
US-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 US 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 (3 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-20100099672-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS NPC1 291/4885RAB9A 3935/4885SMN1; SMN2 4442/4885
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof TNKS, TPI1, TNKS1BP1 NPC1 3907/4885RAB9A 2806/4885SMN1; SMN2 3743/4885
US-20120142676-A1 Oxathiazine and dithiine oxides as inhibitors of sulfhydryl-dependent biomolecules HPGDS, SHMT1, QSOX1 NPC1 2313/4885RAB9A 4401/4885SMN1; SMN2 4655/4885

“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.