SCHEMBL4910219

SCHEMBL4910219

CC(NC(=O)c1ccc(Cl)s1)c1c[nH]cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
F2 P00734 1/20 0.41
HDAC3 O15379 4/20 0.40

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
SCHEMBL4909299 0.77 F2 (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL13754450 0.74 SMN1; SMN2 (0.59) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL1709059 0.73 HPGD (0.63) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL24015835 0.73 ACACB (0.34) L3MBTL1
SCHEMBL2937819 0.73 ADORA2A (0.32) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL4909500 0.71 F10 (0.39) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3425960 0.70 SMN1; SMN2 (0.52) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL3425969 0.70 SMN1; SMN2 (0.52) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL16458255 0.70 PRCP (0.32)
SCHEMBL4910104 0.69 MAOA (0.40) NPC1RAB9AKMT2AMEN1ALDH1A1

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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 NPC1 2459/4885RAB9A 3480/4885KMT2A 2377/4885

“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.