SCHEMBL10312248

SCHEMBL10312248

CS(=O)(=O)NCc1cccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.71
CA2 P00918 3/20 0.70
KEAP1 Q14145 1/20 0.51
SETDB1 Q15047 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 0.45
MAPK1 P28482 1/20 0.45
MC5R P33032 1/20 0.45
GUSB P08236 1/20 0.44

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
SCHEMBL31594624 1.00 NQO2 (0.71) NQO2CA2KEAP1SETDB1CA12
SCHEMBL28028829 0.84 CA2 (0.68) NQO2CA2CA12CA1CA4
SCHEMBL761540 0.83 NQO2 (1.00) NQO2CA2KEAP1CA12CA1
SCHEMBL21034642 0.82 CA2 (0.70) NQO2CA2CA12CA1CA4
SCHEMBL4270510 0.82 CA2 (1.00) NQO2CA2CA12CA1CA4
SCHEMBL3092172 0.80 NQO2 (0.48) NQO2CA2SETDB1CA12CA1
SCHEMBL4770153 0.79 CA2 (0.66) NQO2CA2KEAP1CA12CA1
SCHEMBL20906520 0.78 CA2 (0.64) NQO2CA2CA12CA1CA4
SCHEMBL28028830 0.78 CA2 (0.64) NQO2CA2CA12CA1CA4
SCHEMBL10525262 0.78 SETDB1 (0.51) NQO2CA2SETDB1MEN1KMT2A

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-20120174324-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-07-12 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-20120174324-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE IK, H1-0, H1-5 NQO2 390/4885CA2 2424/4885KEAP1 2728/4885

“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.