SCHEMBL4096988

SCHEMBL4096988

COC(=O)c1ccc(C(=N)NO)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
NOTUM Q6P988 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL4392531 0.88 KDM4E (0.49) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL2804263 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL18204421 0.84 KDM4E (0.47) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL523320 0.83 KDM4E (0.62) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL14645588 0.82 EPHX2 (0.43) KDM4EHSD17B10HDAC1HDAC6LMNA
SCHEMBL2804881 0.81 KDM4E (0.47) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL16959889 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL30221008 0.80 HTT (0.59) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL838252 0.80 KDM4E (0.50) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL1482927 0.80 HTT (0.59) ALDH1A1KDM4EHSD17B10MAPTHPGD

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-20210130337-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2021-05-06 US disclosed
CN-107207488-B Bicyclic heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RAR) agonists 伦敦皇家学院 2020-11-17 CN disclosed
US-10752616-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON (GB) 2020-08-25 US disclosed
US-20200131165-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2020-04-30 US disclosed
US-20190010146-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2019-01-10 US disclosed
EP-2013201-B1 HETEROCYCLIC GPCR AGONISTS PROSIDION LTD (GB) 2012-07-25 EP disclosed
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US disclosed
US-20090221639-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2009-09-03 US disclosed
EP-2013201-A1 HETEROCYCLIC GPCR AGONISTS Prosidion Limited (GB) 2009-01-14 EP disclosed
WO-2007116229-A1 HETEROCYCLIC GPCR AGONISTS PROSIDION LIMITED (GB) 2007-10-18 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 (6 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-20210130337-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB ALDH1A1 253/4885KDM4E 3575/4885HSD17B10 674/4885
US-20200131165-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB ALDH1A1 253/4885KDM4E 3575/4885HSD17B10 674/4885
US-20090325924-A1 GPCR Agonists GPR119, GCGR, GPR27 ALDH1A1 1059/4885KDM4E 3925/4885HSD17B10 952/4885
US-20190010146-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB ALDH1A1 253/4885KDM4E 3599/4885HSD17B10 688/4885
US-20090221639-A1 Heterocyclic GPCR Agonists GPR119, GCGR, GLP1R ALDH1A1 1260/4885KDM4E 3078/4885HSD17B10 1120/4885
US-10752616-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists RARB, RARA, RXRB ALDH1A1 238/4885KDM4E 3621/4885HSD17B10 700/4885

“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.