SCHEMBL4506465

SCHEMBL4506465

O=C(Nc1ccc(Cn2cccn2)cc1)c1ccnc(COc2cc(Cl)ccc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.56
HPGD P15428 6/20 0.56
MAPT P10636 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 4/20 0.56
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
THRB P10828 1/20 0.44
HDAC1 Q13547 1/20 0.43

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
SCHEMBL4509295 0.88 SMN1; SMN2 (0.60) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL4502628 0.86 SMN1; SMN2 (0.51) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL4505147 0.85 SMN1; SMN2 (0.55) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL4509290 0.77 MAPT (0.56) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL4503513 0.76 SMN1; SMN2 (0.62) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL14870455 0.74 MRGPRX4 (0.57) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL4508306 0.74 ALOX5 (0.46) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL4498318 0.73 MRGPRX4 (0.64) SMN1; SMN2HPGDMEN1KMT2ANPC1
SCHEMBL4498578 0.72 MRGPRX4 (0.50) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL4505158 0.72 MAPT (0.64) SMN1; SMN2HPGDMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9358250-B2 Methods of using SCD1 antagonists GENENTECH, INC. (US) 2016-06-07 US disclosed
US-9358250-B2 Methods of using SCD1 antagonists GENENTECH, INC. (US) 2016-06-07 US disclosed
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 2075/4885HPGD 1447/4885MAPT 4022/4885

“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.