SCHEMBL7323201

SCHEMBL7323201

COc1cc(C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.60
PTGS2 P35354 14/20 0.57
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL7316270 0.85 PTGS1 (0.58) PTGS1PTGS2MAPTCYP2C9POLB
SCHEMBL14887386 0.82 MAPT (0.67) PTGS1PTGS2MAPTCYP3A4CYP2C9
SCHEMBL5212572 0.81 PTGS1 (0.66) PTGS1PTGS2MAPTCYP2C9POLB
SCHEMBL1668298 0.80 PTGS1 (0.56) PTGS1PTGS2MAPTNPSR1POLB
SCHEMBL3278021 0.80 PTGS1 (0.62) PTGS1PTGS2MAPTCYP3A4CYP2C9
SCHEMBL7319707 0.80 PTGS1 (0.64) PTGS1PTGS2MAPTCYP2C9POLB
SCHEMBL7323516 0.80 PTGS1 (0.64) PTGS1PTGS2MAPTCYP3A4CYP2C9
SCHEMBL7242623 0.80 PTGS1 (0.64) PTGS1PTGS2MAPTCYP2C9POLB
SCHEMBL7318838 0.80 PTGS1 (0.64) PTGS1PTGS2MAPTPOLBTDP1
SCHEMBL22121922 0.79 PTGS2 (0.52) PTGS1PTGS2CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102834382-A Pyrazole derivatives as modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS S A 2012-12-19 CN disclosed
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 PTGS1 197/4885PTGS2 158/4885MAPT 2674/4885

“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.