SCHEMBL9890984

SCHEMBL9890984

Cc1ccc(S(=O)(=O)Oc2cc(-c3csc(NC(C)C)n3)nc3c(Br)c(C)ccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TYR P14679 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
KCNQ1 P51787 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
CLK1 P49759 1/20 0.33

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
SCHEMBL7906417 0.91 KCNQ1 (0.37) MEN1KMT2ATYRKDM4EKCNQ1
SCHEMBL9890980 0.89 KCNQ1 (0.42) MEN1KMT2ATYRKCNQ1ALDH1A1
SCHEMBL7907810 0.81 KCNQ1 (0.45) MEN1KMT2ATYRKDM4EKCNQ1
SCHEMBL9890977 0.80 TYR (0.39) MEN1KMT2ATYRKDM4ENPSR1
SCHEMBL9890985 0.79 TYR (0.50) MEN1KMT2ATYRKDM4EALDH1A1
SCHEMBL15578481 0.75 TYR (0.42) MEN1KMT2ATYRKDM4EALDH1A1
SCHEMBL12732039 0.71 TYR (0.38) MEN1KMT2ATYRKDM4EALDH1A1
SCHEMBL10194576 0.71 TYR (0.47) MEN1KMT2ATYRKDM4EALDH1A1
SCHEMBL12708170 0.71 TYR (0.40) MEN1KMT2ATYR
SCHEMBL12708283 0.69 TYR (0.52) MEN1KMT2ATYRKDM4EALDH1A1

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-8633320-B2 Process for preparing bromo-substituted quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
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 (2 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-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES HCCS, CYP3A7, ABL1 MEN1 1853/4885KMT2A 3142/4885TYR 424/4885
US-20120142929-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES GYS2, CYP3A7, GBA1 MEN1 2574/4885KMT2A 4064/4885TYR 1100/4885

“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.