SCHEMBL104304

SCHEMBL104304

CCNC(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HPGD P15428 3/20 0.59
NPC1 O15118 4/20 0.56
LMNA P02545 4/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.51
KDM4E B2RXH2 2/20 0.51
USP2 O75604 1/20 0.51
OPRD1 P41143 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
USP5 P45974 1/20 0.49
ACACB O00763 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47

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
SCHEMBL5250716 0.87 OPRD1 (0.49) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL5250718 0.87 OPRD1 (0.49) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL5909057 0.85 CA12 (0.58) RAB9AMEN1KMT2AHPGDNPC1
SCHEMBL13345377 0.85 HDAC8 (0.50) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL17132595 0.85 HPGD (0.65) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL12089442 0.84 HPGD (0.60) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL24609542 0.83 RAB9A (0.59) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL19071400 0.83 OPRD1 (0.49) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL10247689 0.83 HDAC6 (0.71) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL104285 0.83 HPGD (0.63) RAB9ASMN1; SMN2MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018048-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-06-25 US disclosed
WO-2024028243-A1 PYRAZOLO PESTICIDAL COMPOUNDS BASF SE (DE) 2024-02-08 WO disclosed
WO-2021136808-A1 CONJUGATES UNDERGOING INTRAMOLECULAR REARRANGEMENTS ASCENDIS PHARMA A/S (DK) 2021-07-08 WO disclosed
US-20170233438-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL INC. (US) 2017-08-17 US disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20170022253-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL INC. (US) 2017-01-26 US disclosed
US-9546153-B2 Bicyclic heterocycle substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-17 US disclosed
WO-2015021943-A9 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-12-30 WO disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
WO-2008079346-A1 5-CYAN0-4- (PYRROLO [2, 3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-07-03 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 (9 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 RAB9A 3030/4885SMN1; SMN2 4581/4885MEN1 3210/4885
US-12018048-B2 Anthelmintic depsipeptide compounds VIP, DNPEP, DPEP1 RAB9A 1467/4885SMN1; SMN2 4113/4885MEN1 1915/4885
US-20170022253-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP RAB9A 2061/4885SMN1; SMN2 4620/4885MEN1 1902/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP RAB9A 3878/4885SMN1; SMN2 2559/4885MEN1 3138/4885
US-20170233438-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP RAB9A 1983/4885SMN1; SMN2 4599/4885MEN1 1735/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP RAB9A 3878/4885SMN1; SMN2 2559/4885MEN1 3138/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR RAB9A 4068/4885SMN1; SMN2 3952/4885MEN1 3109/4885
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 RAB9A 3676/4885SMN1; SMN2 4847/4885MEN1 4810/4885
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS CBR1, CBR3, VRK1 RAB9A 2710/4885SMN1; SMN2 4632/4885MEN1 4445/4885

“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.