SCHEMBL4910104

SCHEMBL4910104

CC(NC(=O)c1ccc(Cl)s1)c1c[nH]c(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 5/20 0.40
POLB P06746 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
XBP1 P17861 1/20 0.37
PAX8 Q06710 1/20 0.37
MCL1 Q07820 1/20 0.37
CHEK2 O96017 1/20 0.36
RPS6KA3 P51812 1/20 0.36
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35
CSNK2A1 P68400 2/20 0.35

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
SCHEMBL4910219 0.69 NPC1 (0.44) LMNASMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL10365597 0.67 SMN1; SMN2 (0.46) LMNASMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL13754450 0.65 SMN1; SMN2 (0.59) LMNAPOLBSMN1; SMN2RAB9AMEN1
SCHEMBL4664626 0.64 HDAC3 (0.51) LMNAPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL7995197 0.63 TYMP (0.47) LMNAPOLBRAB9ANPC1HTT
SCHEMBL4286491 0.63 MAOA (0.59) MAOAMAOBLMNAPOLBALDH1A1
SCHEMBL6026704 0.62 MAPT (0.49) LMNAPOLBRAB9AMEN1KMT2A
SCHEMBL22022721 0.62 MGLL (0.49) SMN1; SMN2CYP1A2
SCHEMBL3426918 0.62 F2 (0.53) LMNAPOLBSMN1; SMN2RAB9AMEN1
SCHEMBL7493888 0.62 NPBWR1 (0.48) LMNAPOLBSMN1; SMN2RAB9AMEN1

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 MAOA 65/4885MAOB 6/4885LMNA 1042/4885

“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.