SCHEMBL4472396

SCHEMBL4472396

O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(Oc3ccccc3)cc2)c[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
ALDH1A1 P00352 2/20 0.54
ALOX12 P18054 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
PGR P06401 2/20 0.53
NOTUM Q6P988 1/20 0.53
PNLIP P16233 3/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
STK39 Q9UEW8 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.47
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46

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
SCHEMBL4473380 0.89 ALDH1A1 (0.57) HTTALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4475028 0.87 PGR (0.52) HTTALDH1A1LMNAPGRPNLIP
SCHEMBL9102775 0.82 SMN1; SMN2 (0.49) HTTALDH1A1ALOX12LMNAMAPT
SCHEMBL4467015 0.81 KDR (0.59) MEN1KMT2AMAPK1MET
SCHEMBL4477734 0.79 RXFP1 (0.56) HTTMAPTMEN1KMT2ARAB9A
SCHEMBL9102011 0.78 KDR (0.49) HTTLMNAKDM4EUSP2HPGD
SCHEMBL1929769 0.76 HRH3 (0.64)
SCHEMBL4477095 0.75 ALDH1A1 (0.51) HTTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL25970557 0.74 PGR (0.87) PGRSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL809338 0.73 KMT2A (0.69) HTTALDH1A1ALOX12LMNAMAPT

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 HTT 3617/4885ALDH1A1 1625/4885ALOX12 3040/4885

“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.