SCHEMBL4909451

SCHEMBL4909451

Cc1nc(C(N)C(=O)c2ccc(Cl)s2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
DAO P14920 1/20 0.38
ALDH1A1 P00352 9/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
KDM4E B2RXH2 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HPGD P15428 4/20 0.36
POLB P06746 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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 0.76 F2 (0.44) F2DAOALDH1A1NPC1RAB9A
SCHEMBL4908925 0.74 F2 (0.41) F2DAOALDH1A1NPC1RAB9A
SCHEMBL4909446 0.68 HPGD (0.55) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL23038429 0.67 IRAK4 (0.35) SMN1; SMN2MEN1KMT2A
SCHEMBL13423078 0.66 F2 (0.57) F2DAOALDH1A1NPC1RAB9A
SCHEMBL6623234 0.65 F2 (0.55) F2DAOALDH1A1NPC1RAB9A
Oxalic Acid SCHEMBL10364077 0.64
SCHEMBL11457495 0.64 F2 (0.59) F2DAOALDH1A1NPC1RAB9A
SCHEMBL9593131 0.64 F2 (0.59) F2DAOALDH1A1NPC1RAB9A
SCHEMBL3492 0.64

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 F2 250/4885DAO 744/4885ALDH1A1 517/4885

“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.