SCHEMBL14710604

SCHEMBL14710604

Cn1cnc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 11/20 0.43
KDM2B Q8NHM5 6/20 0.43
KDR P35968 1/20 0.42
PKM P14618 1/20 0.42
RXFP1 Q9HBX9 2/20 0.39
KDM5A P29375 4/20 0.39
KDM5B Q9UGL1 4/20 0.39
KDM4A O75164 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
DHODH Q02127 1/20 0.37
PTPN1 P18031 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL4801949 0.85 KDR (0.54) KDM4CKDM2BKDRKDM5AKDM5B
SCHEMBL14710561 0.81 HTT (0.50) RXFP1MEN1KMT2ANPC1TP53
SCHEMBL29201007 0.79 DHODH (0.45) KDM4CKDM2BKDRKDM5AKDM5B
SCHEMBL15013252 0.77 NTRK1 (0.51) KDM4CKDM2BKDRRXFP1KDM5A
SCHEMBL14788595 0.75 KDM4C (0.40) KDM4CKDM2BKDRKDM5AKDM5B
SCHEMBL14711183 0.74 LPAR1 (0.48) PKMRXFP1KMT2ADHODHPTPN1
SCHEMBL20505072 0.74 NPC1 (0.42) NPC1ALDH1A1MAPTHSD17B10NSD3
SCHEMBL12727152 0.73 KDR (0.53) KDRALDH1A1MAPTNSD3
SCHEMBL14710278 0.73 APOBEC3A (0.41) KDM4CKDM2BKDRPKMRXFP1
SCHEMBL1722222 0.73 MAPK14 (0.38) KDM4CKDM2BPKMMEN1KMT2A

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-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20140329871-A1 SMALL MOLECULE ANTI-FIBROTIC COMPOUNDS AND USES THEREOF ANGION BIOMEDICA CORP. (US) 2014-11-06 US disclosed
WO-2013085824-A1 SMALL MOLECULE ANTI-FIBROTIC COMPOUNDS AND USES THEREOF ANGION BIOMEDICA CORP. (US) 2013-06-13 WO disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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 (2 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 KDM4C 4405/4885KDM2B 4325/4885KDR 2309/4885
US-20140329871-A1 SMALL MOLECULE ANTI-FIBROTIC COMPOUNDS AND USES THEREOF MMP1, COL1A1, COL2A1 KDM4C 2572/4885KDM2B 2037/4885KDR 2764/4885

“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.