SCHEMBL9965089

SCHEMBL9965089

CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(-c3cnc4ccccc4n3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 11/20 0.62
SMO Q99835 3/20 0.62
ALB P02768 1/20 0.62
HTR1A P08908 1/20 0.62
SLC6A2 P23975 1/20 0.62
PDE4A P27815 1/20 0.62
OPRM1 P35372 1/20 0.62
DRD3 P35462 1/20 0.62
HTR2B P41595 1/20 0.62
SLC6A3 Q01959 1/20 0.62
PDE4D Q08499 1/20 0.62
SHH Q15465 1/20 0.62
SLC29A1 Q99808 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.62
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL9965090 0.93 USP28 (0.72) USP28SMOALBHTR1ASLC6A2
SCHEMBL4905510 0.89 USP28 (0.56) USP28SMOALBHTR1ASLC6A2
SCHEMBL12679581 0.87 USP28 (0.56) USP28SMOALBHTR1ASLC6A2
SCHEMBL12679580 0.87 USP28 (0.53) USP28SMOALBHTR1ASLC6A2
SCHEMBL9965058 0.85 PKM (0.52) USP28SMOALBHTR1ASLC6A2
SCHEMBL1017281 0.84 USP28 (0.86) USP28SMOALBHTR1ASLC6A2
SCHEMBL12679610 0.83 USP28 (0.56) USP28SMOALBHTR1ASLC6A2
SCHEMBL12681346 0.82 RAB9A (0.64) ALDH1A1LMNA
SCHEMBL9965071 0.82 KMT2A (0.51) USP28SMOALBHTR1ASLC6A2
SCHEMBL12679567 0.81 NPC1 (0.55) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273743-B2 N-(4-chloro-3-(quinoxalin-3-yl)phenyl)-3,5-dimethoxybenzamide; for treating malignancies CURIS, INC. (US) 2012-09-25 US disclosed
US-8273743-B2 N-(4-chloro-3-(quinoxalin-3-yl)phenyl)-3,5-dimethoxybenzamide; for treating malignancies CURIS, INC. (US) 2012-09-25 US disclosed
EP-1745041-B1 QUINOXALINE INHIBITORS OF THE HEDGEHOG SIGNALLING PATHWAY GENENTECH INC (US) 2012-06-20 EP disclosed
US-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling GENENTECH, INC. 2008-10-23 US disclosed
US-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling GENENTECH, INC. 2008-10-23 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-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling SHH, NR4A2, NR4A3 USP28 3130/4885SMO 4/4885ALB 4812/4885

“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.