SCHEMBL5360561

SCHEMBL5360561

N#Cc1cc(Cc2ccc(Cl)cc2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.48
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSP90AB1 P08238 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 7/20 0.37
TSHR P16473 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11057646 0.89 CYP3A4 (0.48) CYP3A4MAPTMEN1KMT2AKDM4E
SCHEMBL5370698 0.85 CYP3A4 (0.44) CYP3A4MAOBMEN1KMT2AKDM4E
SCHEMBL5351161 0.85 CYP3A4 (0.56) CYP3A4MAPTMEN1KMT2AKDM4E
SCHEMBL5360516 0.84 IDH1 (0.43) CYP3A4MAOAMAOBMAPTMEN1
SCHEMBL5368384 0.83 MAOA (0.44) CYP3A4MAOAMAOBMAPTMEN1
SCHEMBL29462390 0.79 TSHR (0.52) CYP3A4MAOAMAOBMAPTMEN1
SCHEMBL164458 0.79 TSHR (0.52) CYP3A4MAOAMAOBMAPTMEN1
SCHEMBL5361453 0.79 ALDH1A1 (0.49) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL5360422 0.78 CYP3A4 (0.43) CYP3A4MAPTKDM4EGAAALDH1A1
SCHEMBL5414685 0.77 CA1 (0.45) CYP3A4MAPTMEN1KMT2AKDM4E

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-7256197-B2 Methods for synthesis of diarylmethanes DANA-FARBER CANCER INSTITUTE (US) 2007-08-14 US disclosed
US-20040267011-A1 Methods for synthesis of diarylmethanes DANA-FARBER CANCER INSTITUTE 2004-12-30 US disclosed
WO-2003031458-A1 METHODS FOR SYNTHESIS OF DIARYLMETHANES DANA-FARBER CANCER INSTITUTE (US) 2003-04-17 WO 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-20040267011-A1 Methods for synthesis of diarylmethanes DHFR, DPYD, DHODH CYP3A4 92/4885MAOA 202/4885MAOB 120/4885

“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.