SCHEMBL12679593

SCHEMBL12679593

O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1cccnc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALB P02768 1/20 0.48
HTR1A P08908 1/20 0.48
SLC6A2 P23975 1/20 0.48
PDE4A P27815 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL12679582 0.90 PRKCI (0.52) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL12679566 0.90 HTT (0.48) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL9965058 0.89 PKM (0.52) NPC1RAB9AMEN1KMT2AALB
SCHEMBL12679575 0.87 SMO (0.56) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL12681298 0.86 KMT2A (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1251469 0.84 ALB (0.65) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL12679570 0.83 MAPT (0.51) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL12679606 0.83 KMT2A (0.65) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL12679594 0.83 KMT2A (0.66) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL12679590 0.83 KMT2A (0.47) HPGDNPC1RAB9AMAPTHTT

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 4 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
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 ALDH1A1 2618/4885HPGD 2716/4885NR2E3 7/4885

“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.