SCHEMBL4908803

SCHEMBL4908803

O=C(NCc1cn(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccc(Cl)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TSHR P16473 1/20 0.41
F10 P00742 3/20 0.39
MAPK1 P28482 1/20 0.38
ACKR3 P25106 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MCL1 Q07820 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3087908 0.86 HPGD (0.53) HPGDTSHRF10MAPK1LMNA
SCHEMBL1708736 0.85 HPGD (0.52) HPGDTSHRF10MAPK1LMNA
SCHEMBL3089664 0.85 HPGD (0.52) HPGDTSHRF10MAPK1LMNA
SCHEMBL4911468 0.84 HPGD (0.43) HPGDTSHRF10MAPK1KDM4E
SCHEMBL1106605 0.82 HPGD (0.49) HPGDTSHRF10MAPK1LMNA
SCHEMBL8277767 0.82 HPGD (0.49) HPGDTSHRF10MAPK1LMNA
SCHEMBL8225099 0.80 HPGD (0.47) HPGDTSHRF10
SCHEMBL4905458 0.80 HPGD (0.47) HPGDTSHRF10MAPK1LMNA
SCHEMBL8230688 0.80 HPGD (0.47) HPGDTSHRF10MAPK1
SCHEMBL1277358 0.80 F10 (0.47) HPGDTSHRF10MAPK1LMNA

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 HPGD 4194/4885MAOA 65/4885MAOB 6/4885

“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.