SCHEMBL4917993

SCHEMBL4917993

CCc1ccccc1-n1nc(C)cc1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 10/20 0.46
MGLL Q99685 1/20 0.43
KDM4E B2RXH2 2/20 0.43
OPRM1 P35372 1/20 0.41
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NTRK1 P04629 1/20 0.39
LMNA P02545 1/20 0.39
STAT1 P42224 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 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
SCHEMBL4918738 0.81 ALDH1A1 (0.46) MGLLKDM4EGAAALDH1A1NTRK1
SCHEMBL17255733 0.81 KDM4E (0.47) KDM4EGAAALDH1A1NTRK1LMNA
SCHEMBL1814517 0.80 CYP1A2 (0.57) P2RY1OPRM1ALDH1A1LMNA
SCHEMBL31457163 0.80 CYP1A2 (0.57) P2RY1OPRM1ALDH1A1LMNA
SCHEMBL15428744 0.78 P2RY1 (0.46) P2RY1ALDH1A1LMNA
SCHEMBL4917405 0.78 KDM4E (0.50) P2RY1KDM4EOPRM1GAAALDH1A1
SCHEMBL15442119 0.75 KCNN4 (0.44) P2RY1MGLLKDM4EGAAALDH1A1
SCHEMBL200831 0.74 MAPK1 (0.63) KDM4EGAAALDH1A1NTRK1LMNA
SCHEMBL23402247 0.72 ALDH1A1 (0.42) MGLLKDM4EOPRM1ALDH1A1
SCHEMBL14473680 0.71 KMT2A (0.47) GAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269293-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER INC. 2008-10-30 US disclosed
US-20080269293-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER INC. 2008-10-30 US disclosed
US-20080269293-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER INC. 2008-10-30 US disclosed
WO-2008023235-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS PFIZER PRODUCTS INC. (US) 2008-02-28 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 (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-20080269293-A1 PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS P2RY1, P2RY11, P2RX7 P2RY1 1/4885MGLL 4410/4885KDM4E 3700/4885

“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.