SCHEMBL9965100

SCHEMBL9965100

CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4cnc5ccccc5n4)c3)cc2)CC(C)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.56
THRB P10828 1/20 0.54
LMNA P02545 5/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 4/20 0.53
HPGD P15428 3/20 0.53
ALOX15 P16050 2/20 0.53
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 4/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
XBP1 P17861 1/20 0.49
RAB9A P51151 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49

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
SCHEMBL9965097 0.90 MEN1 (0.46) RXFP1LMNAMEN1KMT2AMAPT
SCHEMBL1016171 0.87 KDM4E (0.64) RXFP1THRBLMNAMEN1KMT2A
SCHEMBL12679618 0.86 KMT2A (0.50) RXFP1LMNAMEN1KMT2AMAPT
SCHEMBL12679616 0.85 MEN1 (0.48) RXFP1LMNAMEN1KMT2AMAPT
SCHEMBL9965065 0.85 KMT2A (0.48) RXFP1LMNAMEN1KMT2AMAPT
SCHEMBL9965069 0.85 PABPC1 (0.50) RXFP1LMNAMEN1KMT2AMAPT
SCHEMBL9965095 0.84 SMO (0.50) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL4905510 0.83 USP28 (0.56) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL9965061 0.82 MEN1 (0.46) RXFP1LMNAMEN1KMT2AMAPT
SCHEMBL9965101 0.79 KMT2A (0.52) MEN1KMT2AMAPTNPSR1POLB

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 RXFP1 264/4885THRB 1245/4885LMNA 4417/4885

“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.