SCHEMBL7082765

SCHEMBL7082765

CC(=O)c1ccc(C#Cc2ccccc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC6 Q9UBN7 1/20 0.42
APP P05067 1/20 0.41
FFAR1 O14842 5/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GSK3B P49841 1/20 0.40
MTOR P42345 1/20 0.39
MMP2 P08253 2/20 0.38
MMP9 P14780 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL8588619 0.87 L3MBTL1 (0.70) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4407685 0.86 RAB9A (0.44) L3MBTL1NPC1RAB9AAPPFFAR1
SCHEMBL23440050 0.80 APP (0.39) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22711418 0.74 L3MBTL1 (0.58) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6211351 0.74 L3MBTL1 (0.58) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22071237 0.73 DAO (0.52) L3MBTL1RAB9AKDM4EALDH1A1GAA
SCHEMBL7829926 0.72 GAA (0.40) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL22711381 0.72 HDAC8 (0.63) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13416013 0.72 APP (0.50) NPC1RAB9AMAPTSMN1; SMN2HDAC6
SCHEMBL352339 0.72 L3MBTL1 (0.56) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4403042-A2 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME Mars, Incorporated (US) 2024-07-24 EP disclosed
EP-3229612-B1 USE OF FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2024-06-26 EP disclosed
EP-3229610-B1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2021-06-09 EP disclosed
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 US disclosed
EP-1196384-A4 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO INC (US) 2002-10-23 EP disclosed
EP-1196384-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF Merck & Co., Inc. (US) 2002-04-17 EP disclosed
EP-1086091-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2001-10-10 EP disclosed
US-6262055-B1 SULFUR-CONTAINING HETEROARYL DIOXO-BUTYRIC ACID DERIVATIVES MERCK & CO., INC. 2001-07-17 US disclosed
EP-1086091-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2001-03-28 EP disclosed
WO-2001000578-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO., INC. (US) 2001-01-04 WO disclosed
WO-1999062897-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 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 (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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 L3MBTL1 1944/4885NPC1 1031/4885RAB9A 4516/4885

“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.