SCHEMBL455326

SCHEMBL455326

Cc1ccc(-c2cc(C(=O)O)cn3c(-c4ccccc4)nnc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MAPT P10636 3/20 0.40
THRB P10828 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CTRC Q99895 1/20 0.40
MAP4K4 O95819 1/20 0.40
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
SRC P12931 1/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
KDM4A O75164 1/20 0.38
KDM5A P29375 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
SCHEMBL455880 0.85 BRD9 (0.38) NR1H2NR1H3MAPTTHRBRXFP1
SCHEMBL463333 0.84 GRM5 (0.41) MAPTDHODHKDM5AKDM4CKDM5B
SCHEMBL476531 0.79 ABL1 (0.41) MAPTCTRCALDH1A1KDM4E
SCHEMBL13188962 0.76 CXCR4 (0.39) ALDH1A1KDM4EHPGDLMNA
SCHEMBL451880 0.76 TACR3 (0.45) MAPTALDH1A1KDM4EKDM4AKDM5A
SCHEMBL455942 0.74 MAP4K4 (0.41) MAPTCTRCMAP4K4ALDH1A1KDM4E
SCHEMBL453612 0.72 BRD9 (0.37) ALDH1A1KDM4EGAALMNA
SCHEMBL15436250 0.71 MAPT (0.42) NR1H2NR1H3MAPTTHRBRXFP1
SCHEMBL454081 0.71 SPTLC1 (0.53) MAPTMAP4K4ALDH1A1KDM4EGAA
SCHEMBL17014860 0.71 ALDH1A1 (0.63) MAPTCTRCMAP4K4DHODHALDH1A1

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 NR1H2 1392/4885NR1H3 1629/4885MAPT 4011/4885

“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.