SCHEMBL4473380

SCHEMBL4473380

O=C(Nc1ccc(Oc2cccnc2)cc1)c1cc(-c2ccc(Cl)cc2)c[nH]1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
NAMPT P43490 1/20 0.50
GRM5 P41594 3/20 0.49
LMNA P02545 1/20 0.49
MET P08581 1/20 0.48
TP53 P04637 1/20 0.48
RECQL P46063 1/20 0.48
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KDR P35968 1/20 0.45

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
SCHEMBL4472396 0.89 HTT (0.54) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL4477095 0.86 ALDH1A1 (0.51) ALDH1A1HTTTDP1RAB9ASMN1; SMN2
SCHEMBL9106342 0.84 ALDH1A1 (0.51) ALDH1A1HTTTDP1RAB9ASMN1; SMN2
SCHEMBL4475028 0.84 PGR (0.52) ALDH1A1HTTTDP1RAB9ASMN1; SMN2
SCHEMBL4477516 0.81 NPC1 (0.51) ALDH1A1HTTTDP1RAB9ASMN1; SMN2
SCHEMBL4467015 0.79 KDR (0.59) KMT2AMETKDR
SCHEMBL9102011 0.77 KDR (0.49) HTTHPGDLMNAMETKDR
SCHEMBL14527418 0.75 KMT2A (0.58) ALDH1A1HTTTDP1RAB9ASMN1; SMN2
SCHEMBL3593695 0.73 ALDH1A1 (0.55) ALDH1A1HTTTDP1RAB9ASMN1; SMN2
SCHEMBL15503860 0.73 ALDH1A1 (1.00) ALDH1A1HTTTDP1RAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598274-B2 N-methyl-4-{4-[5-(4-chloro-3-trifluoromethylphenylcarbamoyl)-1H-pyrrol-3-yl]-phenoxy}pyridine-2-carboxamide; Raf kinases inhibitors MERCK PATENT GMBH (DE) 2009-10-06 US disclosed
US-20070149594-A1 Pyrrole derivatives MERCK PATENT GMBH (DE) 2007-06-28 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-20070149594-A1 Pyrrole derivatives RAF1, BRAF, ARAF ALDH1A1 1625/4885HTT 3617/4885TDP1 1150/4885

“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.