SCHEMBL8625807

SCHEMBL8625807

Cc1ccccc1NC(=O)CC#N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HSD17B10 Q99714 3/20 0.63
KDM4E B2RXH2 2/20 0.63
HPGD P15428 7/20 0.60
ALOX12 P18054 1/20 0.60
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.56
MAPT P10636 2/20 0.55
MAPK1 P28482 2/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL9442187 0.87 ALDH1A1 (0.68) ALDH1A1HSD17B10KDM4EMAPK1SMN1; SMN2
SCHEMBL21973109 0.84 ALDH1A1 (0.67) ALDH1A1HSD17B10KDM4EALOX12RAB9A
SCHEMBL11197601 0.81 ALDH1A1 (0.61) ALDH1A1HSD17B10KDM4EMAPTLMNA
SCHEMBL2005846 0.81 RAB9A (0.73) ALDH1A1HSD17B10HPGDALOX12RAB9A
SCHEMBL29528561 0.81 RAB9A (0.73) ALDH1A1HSD17B10HPGDALOX12RAB9A
SCHEMBL5481312 0.81 ALDH1A1 (0.60) ALDH1A1HSD17B10KDM4EHPGDRAB9A
SCHEMBL11419554 0.81 MEN1 (0.57) ALDH1A1HSD17B10KDM4ENPC1MAPT
SCHEMBL13384689 0.80 ALDH1A1 (0.73) ALDH1A1HSD17B10KDM4ESMN1; SMN2TSHR
SCHEMBL11144382 0.80 KMT2A (0.70) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL11031904 0.79 ALDH1A1 (0.59) ALDH1A1HSD17B10KDM4EHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
WO-2017106552-A1 POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AND COMBINATION THERAPY UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-06-22 WO disclosed
EP-1664173-B1 METHOD FOR REDUCING THE ACETALDEHYDE LEVEL IN POLYESTERS EASTMAN CHEM CO (US) 2008-06-11 EP disclosed
US-5716446-A PRINTING INK; TONERS; POWDER COATING HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-10 US disclosed
US-5698705-A BASED ON AMINOBENZIMIDAZOLONES HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-16 US disclosed
US-4438092-A 5-Amino-N-(3-chloro- 2-methyl-, or 2-fluorophenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamides and use as an anti-convulsant WARNER-LAMBERT COMPANY (US) 1984-03-20 US disclosed
US-4346097-A ANTIEPILEPTIC WARNER-LAMBERT COMPANY (US) 1982-08-24 US disclosed
US-4008262-A DISPERSE DYE INTERMEDIATE AMERICAN COLOR & CHEMICAL CORPORATION (US) 1977-02-15 US disclosed
US-3954830-A Yellow methine dyes for hydrophobic textile material AMERICAN ANILINE PRODUCTS, INC. (US) 1976-05-04 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 (1 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-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR ALDH1A1 2254/4885HSD17B10 2974/4885KDM4E 607/4885

“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.