SCHEMBL3586872

SCHEMBL3586872

CC(=O)Nc1ccc(C(=O)O)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEU3 Q9UQ49 1/20 0.58
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 2/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 4/20 0.51
MAPT P10636 4/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.49
JAK2 O60674 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 1/20 0.48
ESR1 P03372 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46

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
SCHEMBL3362895 0.87 ALDH1A1 (0.55) NEU3ALDH1A1KDM4EHPGDMEN1
SCHEMBL30275453 0.87 ALDH1A1 (0.55) NEU3ALDH1A1KDM4EHPGDMEN1
SCHEMBL22114789 0.86 KMT2A (0.50) NEU3ALDH1A1KDM4ELMNAHPGD
SCHEMBL560143 0.85 L3MBTL1 (0.57) NEU3ALDH1A1KDM4ELMNAHPGD
SCHEMBL3891611 0.85 NPC1 (0.64) NEU3ALDH1A1KDM4EHPGDMEN1
SCHEMBL2558174 0.83 MEN1 (0.56) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL14339910 0.83 RAB9A (0.51) NEU3ALDH1A1KDM4ELMNAMEN1
SCHEMBL27804334 0.82 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDMEN1KMT2A
3-Hydroxy-4-Acetylaminobenzoic Acid SCHEMBL31026207 0.81 MAPT (0.65) NEU3ALDH1A1KDM4EHPGDMEN1
3-Hydroxy-4-Acetylaminobenzoic Acid SCHEMBL8018270 0.81 MAPT (0.65) NEU3ALDH1A1KDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11228513-A None JP disclosed
US-20220227762-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES BEONE MEDICINES I GMBH (CH) 2022-07-21 US disclosed
CN-113891880-A Amide substituted imidazo compounds as selective inhibitors of indoleamine 2, 3-dioxygenase 百济神州有限公司 2022-01-04 CN disclosed
WO-2020233676-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2020-11-26 WO disclosed
WO-2020233676-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2020-11-26 WO disclosed
WO-2020233677-A1 PROCESS FOR PREPARING AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS BEIGENE (BEIJING) CO., LTD. (CN) 2020-11-26 WO disclosed
WO-2020233677-A1 PROCESS FOR PREPARING AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS BEIGENE (BEIJING) CO., LTD. (CN) 2020-11-26 WO disclosed
WO-2020119606-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-06-18 WO disclosed
WO-2020119606-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-06-18 WO disclosed
US-7842808-B2 calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US disclosed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP disclosed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO disclosed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
JP-H11228513-A 4-ACETYLAMINO-3-METHYLBENZOIC ACID COMPOUND, ITS PRODUCTION AND PRODUCTION OF 1H-INDAZOLE-5-CARBOXYLIC ACID USING THE SAME SUMIKA FINE CHEMICALS CO LTD 1999-08-24 JP 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-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH NEU3 1323/4885ALDH1A1 4339/4885KDM4E 642/4885
US-20220227762-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES IDO1, IDO2, AADAC NEU3 1405/4885ALDH1A1 604/4885KDM4E 491/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR NEU3 2245/4885ALDH1A1 2525/4885KDM4E 4815/4885

“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.