SCHEMBL9892707

SCHEMBL9892707

COc1ccc2c(S)cc(-c3cnc(-c4ccccc4)s3)nc2c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TDO2 P48775 3/20 0.39
IDO1 P14902 2/20 0.39
ALDH1A1 P00352 6/20 0.38
RAB9A P51151 6/20 0.38
NPC1 O15118 6/20 0.38
HPGD P15428 5/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 4/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL10046378 0.88 TDO2 (0.39) TDO2IDO1ALDH1A1RAB9ANPC1
SCHEMBL7906969 0.82 KDM4E (0.42) CYP19A1CYP11B1CYP11B2TDO2IDO1
SCHEMBL9892705 0.77 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2TDO2IDO1
SCHEMBL288379 0.71 MEN1 (0.50) CYP19A1CYP11B1CYP11B2TDO2IDO1
SCHEMBL10046375 0.70 PLAU (0.42) CYP19A1CYP11B1CYP11B2MAPT
SCHEMBL10046379 0.70 TRIM33 (0.39) CYP19A1CYP11B1CYP11B2TDO2IDO1
SCHEMBL10015186 0.69 RAB9A (0.38) ALDH1A1RAB9ANPC1HPGDKDM4E
SCHEMBL9890975 0.69 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1HPGDKDM4E
SCHEMBL9892685 0.67 TYR (0.40) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL10046377 0.65 HPGDS (0.48) TDO2IDO1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142929-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142929-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES GYS2, CYP3A7, GBA1 CYP19A1 556/4885CYP11B1 296/4885CYP11B2 442/4885

“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.