SCHEMBL3454119

SCHEMBL3454119

NS(=O)(=O)c1c(Oc2ccccc2)cc2ccccc2c1-c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.46
GPR84 Q9NQS5 1/20 0.44
CYP11B1 P15538 4/20 0.42
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.40
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP11B2 P19099 3/20 0.38
CYP19A1 P11511 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP2C9 P11712 2/20 0.37
PTGS1 P23219 2/20 0.37

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
SCHEMBL3454115 0.80 CYP11B1 (0.51) MAPTNPSR1POLBGPR84CYP11B1
SCHEMBL3717532 0.75 CA12 (0.47) MAPTNPSR1POLBCYP11B1CA9
SCHEMBL3454063 0.74 P2RX4 (0.43) MAPTNPSR1POLBCA9CA12
SCHEMBL6560342 0.71 CA9 (0.48) MAPTPOLBGPR84CYP11B1RAB9A
SCHEMBL2812920 0.71 CYP11B1 (0.66) MAPTPOLBGPR84CYP11B1RAB9A
SCHEMBL3454455 0.69 THRA (0.43) MAPTNPSR1POLBTDP1CA9
SCHEMBL27848151 0.69 CYP11B1 (0.51) MAPTPOLBGPR84CYP11B1RAB9A
SCHEMBL14100945 0.68 MAPT (0.54) MAPTNPSR1POLBCYP11B1TDP1
Diphenylether SCHEMBL29220492 0.66 CYP2A6 (0.65) MAPTNPSR1POLBCYP11B1TDP1
SCHEMBL5459676 0.65 CYP11B1 (0.50) MAPTNPSR1POLBCYP11B1MEN1

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
US-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition P2RY1, P2RY11, UTS2R MAPT 1056/4885NPSR1 54/4885POLB 2945/4885

“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.