SCHEMBL9890976

SCHEMBL9890976

Cc1ccc2c(S(=O)(=O)c3ccccc3)cc(-c3cncs3)nc2c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
HTR6 P50406 2/20 0.34
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PKM P14618 2/20 0.34
COMT P21964 1/20 0.34
GBA1 P04062 1/20 0.34
PIM1 P11309 1/20 0.33
HTT P42858 5/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
NPSR1 Q6W5P4 4/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL7909715 0.87 HTR6 (0.39) MAPTHTR6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10015184 0.85 MAPT (0.33) MAPTKDM4EGBA1PIM1HTT
SCHEMBL9890975 0.82 ALDH1A1 (0.43) MAPTALDH1A1KDM4ESMN1; SMN2PKM
SCHEMBL15428933 0.78 COMT (0.38) HTR6ALDH1A1KDM4ESMN1; SMN2PKM
SCHEMBL9890970 0.77 ALDH1A1 (0.35) HTR6ALDH1A1KDM4ESMN1; SMN2PKM
SCHEMBL15428932 0.77 ADORA2A (0.36) ALDH1A1KDM4EPKMCOMTHTT
SCHEMBL15428930 0.77 COMT (0.34) MAPTHTR6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9890972 0.76 HTR6 (0.35) HTR6ALDH1A1KDM4ESMN1; SMN2PKM
SCHEMBL9890971 0.76 HPGDS (0.38) HTR6ALDH1A1KDM4ESMN1; SMN2PKM
SCHEMBL15428931 0.76 NPY5R (0.38) ALDH1A1KDM4ESMN1; SMN2PKMCOMT

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-8633320-B2 Process for preparing bromo-substituted quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 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 (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 MAPT 4747/4885HTR6 3987/4885ALDH1A1 771/4885

“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.