SCHEMBL6289899

SCHEMBL6289899

Nc1c(-c2ccc3c(c2)OCO3)c(O)nn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.49
EDNRA P25101 2/20 0.49
CYP19A1 P11511 1/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SCD5 Q86SK9 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
PKM P14618 2/20 0.43
PDE5A O76074 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL6289617 0.83 CYP1A2 (0.50) EDNRBEDNRACYP19A1MAPK1NPSR1
SCHEMBL6289705 0.78 CYP19A1 (0.49) EDNRBEDNRACYP19A1MAPK1NPSR1
SCHEMBL6288915 0.76 POLB (0.63) CYP19A1MAPK1POLBGAAALDH1A1
SCHEMBL6292681 0.76 MAPT (0.49) NPSR1POLBGAAALDH1A1NPC1
SCHEMBL27191608 0.68 PDE5A (0.54) EDNRBEDNRACYP19A1MAPK1NPSR1
SCHEMBL3153645 0.67 HPGDS (0.54) EDNRBEDNRAPOLBGAAALDH1A1
SCHEMBL3148483 0.66 CYP11B1 (0.61) EDNRBEDNRAMAPK1GAAALDH1A1
SCHEMBL8693757 0.65 PDE5A (0.51) EDNRBEDNRACYP19A1MAPK1NPSR1
SCHEMBL22404287 0.65 CYP3A4 (0.48) MAPK1POLBALDH1A1NPC1RAB9A
SCHEMBL7224176 0.65 HDAC3 (0.44) CYP19A1MAPK1NPSR1SCD5ALDH1A1

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-6962923-B2 Pyrazole compositions PFIZER INC. (US) 2005-11-08 US disclosed
US-20030232848-A1 Pyrazole compositions PFIZER INC. 2003-12-18 US disclosed
US-6573270-B1 Endothelin receptor antagonists PFIZER INC. 2003-06-03 US disclosed
EP-1072597-A1 Pyrazoles and their use as endothelin antagonists Pfizer Limited (GB) 2001-01-31 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 (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-20030232848-A1 Pyrazole compositions EDNRB, EDNRA, AGTR1 EDNRB 1/4885EDNRA 2/4885CYP19A1 597/4885

“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.