SCHEMBL5147689

SCHEMBL5147689

COc1ccc(-n2nc(Cl)cc2-c2ccc(OCCO)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.40
PTGS2 P35354 4/20 0.40
PTGS1 P23219 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
MARS1 P56192 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL5148690 0.90 FABP3 (0.41) RPA1PTGS2PTGS1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5148757 0.89 PTGS2 (0.39) RPA1PTGS2PTGS1CYP1A2CYP3A4
SCHEMBL5147890 0.89 PTGS2 (0.41) RPA1PTGS2PTGS1CYP1A2CYP3A4
SCHEMBL5152059 0.87 PTGS2 (0.52) RPA1PTGS2PTGS1CYP1A2CYP3A4
SCHEMBL5171475 0.86 RPA1 (0.42) RPA1FABP3FABP4MALT1MARS1
SCHEMBL5148739 0.86 BCL2 (0.43) PTGS2PTGS1FABP3FABP4CA1
SCHEMBL5148825 0.85 MALT1 (0.43) RPA1PTGS2FABP3FABP4MALT1
SCHEMBL5148802 0.85 FYN (0.46) RPA1PTGS2PTGS1CYP1A2CYP3A4
SCHEMBL14504418 0.85 PTGS2 (0.40) PTGS2PTGS1FABP3FABP4CA1
SCHEMBL5148798 0.84 MALT1 (0.44) RPA1PTGS2PTGS1FABP3FABP4

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-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 RPA1 2143/4885PTGS2 1780/4885PTGS1 1105/4885

“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.