SCHEMBL20449062

SCHEMBL20449062

CC(=O)Nc1ccc(Br)nc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 5/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 2/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36

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
SCHEMBL13036283 0.80 ALDH1A1 (0.44) HDAC1HDAC6RXFP1ALDH1A1CA1
SCHEMBL20449070 0.80 CA1 (0.46) HDAC1HDAC6RXFP1ALDH1A1CA1
SCHEMBL9982506 0.79 KDM4E (0.44) HDAC1HDAC6RXFP1ALDH1A1CA1
SCHEMBL20449079 0.79 RXFP1 (0.45) HDAC1HDAC6RXFP1ALDH1A1CA1
SCHEMBL24251808 0.76 ALDH1A1 (0.48) RXFP1ALDH1A1CA1CA2CA9
SCHEMBL29756270 0.76 ALDH1A1 (0.48) RXFP1ALDH1A1CA1CA2CA9
SCHEMBL27075271 0.75 ALDH1A1 (0.43) RXFP1ALDH1A1CA1CA2CA9
SCHEMBL28973026 0.72 CA1 (0.38) HDAC1HDAC6RXFP1ALDH1A1CA1
SCHEMBL17018046 0.72 RXFP1 (0.37) HDAC1HDAC6RXFP1ALDH1A1CA1
SCHEMBL20449072 0.72 RXFP1 (0.37) RXFP1ALDH1A1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
CN-115942972-A LPA receptor antagonists and uses thereof 吉利德科学公司 2023-04-07 CN disclosed
US-20180273528-A1 IMIDAZO[4,5-b]PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-09-27 US disclosed
EP-3356363-A1 NEW IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS DUAL DYRK1/CLK1 INHIBITORS Les Laboratoires Servier (FR) 2018-08-08 EP 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-20180273528-A1 IMIDAZO[4,5-b]PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IDH2, CYP4B1, RB1 HDAC1 748/4885HDAC6 1516/4885RXFP1 1652/4885
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 HDAC1 1666/4885HDAC6 2226/4885RXFP1 196/4885
US-11912686-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 HDAC1 1666/4885HDAC6 2226/4885RXFP1 196/4885

“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.