SCHEMBL452392

SCHEMBL452392

Cc1ccc(-c2cc(C(=O)O)cc3nncn23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.42
KDM5B Q9UGL1 4/20 0.42
KDM5A P29375 3/20 0.42
KDM4A O75164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
PPP1CA P62136 1/20 0.40
CTRC Q99895 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
RPA1 P27694 1/20 0.39
ALPL P05186 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
DHODH Q02127 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
F2 P00734 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
SCHEMBL454836 0.81 KDM4C (0.48) KDM4CKDM5BKDM5AKDM4ASMN1; SMN2
SCHEMBL10377996 0.71 TPMT (0.39) SMN1; SMN2
SCHEMBL30397852 0.71 CA1 (0.39) KDM4CKDM5BKDM5AALDH1A1MAPT
SCHEMBL7823500 0.69 ALDH1A1 (0.65) SMN1; SMN2CTRCALDH1A1KDM4EGAA
SCHEMBL4173479 0.67 DHODH (0.47) KDM4CKDM5BKDM5ASMN1; SMN2CTRC
SCHEMBL31729530 0.67 SMN1; SMN2 (0.70) SMN1; SMN2PPP1CAALDH1A1RPA1KMT2A
SCHEMBL16196117 0.66 DHODH (0.70) SMN1; SMN2CTRCALDH1A1KDM4EGAA
SCHEMBL1495453 0.66 DHODH (0.70) SMN1; SMN2CTRCALDH1A1KDM4EGAA
SCHEMBL455942 0.66 MAP4K4 (0.41) KDM4CKDM5BKDM5AKDM4ASMN1; SMN2
SCHEMBL22445911 0.64 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 KDM4C 4288/4885KDM5B 4019/4885KDM5A 3924/4885

“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.