SCHEMBL4500960

SCHEMBL4500960

Cc1cc(C)nc(NC(=O)c2ccnc(COc3cc(Cl)ccc3Cl)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
MAPT P10636 4/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
PKM P14618 1/20 0.58
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 1/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
THRB P10828 1/20 0.48
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL4507587 0.83 SMN1; SMN2 (0.59) SMN1; SMN2MAPTKMT2AKDM4EMEN1
Trifluoroacetic Acid SCHEMBL4508117 0.79 SMN1; SMN2 (0.61) SMN1; SMN2MAPTKMT2AKDM4EMEN1
SCHEMBL4498578 0.78 MRGPRX4 (0.50) SMN1; SMN2MAPTKMT2AKDM4EMEN1
SCHEMBL4498318 0.77 MRGPRX4 (0.64) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL4496717 0.74 MAPT (0.60) SMN1; SMN2MAPTKMT2AKDM4EMEN1
SCHEMBL3424508 0.72 ALDH1A1 (0.64) SMN1; SMN2MAPTKMT2AKDM4EMEN1
SCHEMBL4500386 0.72 MAPT (0.74) SMN1; SMN2MAPTKMT2AKDM4EMEN1
SCHEMBL4506465 0.71 SMN1; SMN2 (0.56) SMN1; SMN2MAPTKMT2AKDM4EMEN1
SCHEMBL8660822 0.69 CHRNB2 (0.63) SMN1; SMN2MAPTKMT2AKDM4EMEN1
SCHEMBL4506541 0.69 CYP1A2 (0.46) SMN1; SMN2MAPTKMT2AKDM4EMEN1

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 SMN1; SMN2 2075/4885MAPT 4022/4885KMT2A 1109/4885

“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.