SCHEMBL5361453

SCHEMBL5361453

COc1ccc(Cc2ccc(N)c(C#N)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAOB P27338 2/20 0.48
LTA4H P09960 2/20 0.47
GAA P10253 4/20 0.45
CYP2D6 P10635 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5359224 0.89 CALM1 (0.48) ALDH1A1MAOBGAAHPGDLMNA
SCHEMBL5351272 0.87 LTA4H (0.48) ALDH1A1MAOBLTA4HGAAHPGD
SCHEMBL11057646 0.85 CYP3A4 (0.48) ALDH1A1GAAHPGDLMNAMAPT
SCHEMBL5351817 0.83 MAPK8 (0.47) ALDH1A1MAOBGAAMAPTHSD17B10
SCHEMBL5357864 0.83 CA2 (0.61) ALDH1A1GAACYP2D6ATMHPGD
SCHEMBL404674 0.81 ALDH1A1 (0.52) ALDH1A1MAOBGAAMAPTHSD17B10
SCHEMBL28704253 0.81 MAOB (0.48) ALDH1A1MAOBLTA4HGAAMAPT
SCHEMBL5361388 0.81 ALDH1A1 (0.57) ALDH1A1GAAHSD17B10MEN1KMT2A
SCHEMBL5360516 0.80 IDH1 (0.43) ALDH1A1MAOBGAAHPGDLMNA
SCHEMBL9660039 0.80 ALDH1A1 (0.58) ALDH1A1LTA4HGAACYP2D6ATM

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 ALDH1A1 310/4885MAOB 120/4885LTA4H 1325/4885

“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.