SCHEMBL4506541

SCHEMBL4506541

Cc1cc(C)nc(NC(=O)N2CCC(COc3cc(Cl)ccc3Cl)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
PHGDH O43175 6/20 0.45
TRPV1 Q8NER1 1/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL4516123 0.89 CYP1A2 (0.43) CYP1A2CYP3A4PHGDHTRPV1MAPT
SCHEMBL4509117 0.84 MEN1 (0.53) PHGDHTRPV1MAPTKDM4EMEN1
SCHEMBL4518274 0.79 KMT2A (0.52) PHGDHTRPV1MAPTKDM4EMEN1
SCHEMBL4516917 0.75 EPHA2 (0.44) PHGDHMAPTKDM4EMEN1KMT2A
SCHEMBL4509367 0.73 MEN1 (0.51) PHGDHTRPV1MAPTKDM4EMEN1
SCHEMBL4510139 0.72 STS (0.47) KDM4EMEN1KMT2APKM
SCHEMBL4491951 0.72 SMN1; SMN2 (0.50) CYP1A2CYP3A4PHGDHTRPV1MAPT
SCHEMBL4508306 0.72 ALOX5 (0.46) MAPTKDM4EMEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4504667 0.72 EPHA2 (0.41) PHGDHMAPTKDM4EMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4498992 0.72 PHGDH (0.40) CYP1A2CYP3A4PHGDHKDM4EMEN1

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-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS CYP1A2 252/4885CYP3A4 121/4885PHGDH 1406/4885

“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.