SCHEMBL5350773

SCHEMBL5350773

COc1ccccc1Cc1ccc(N)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LTA4H P09960 1/20 0.45
HTR2A P28223 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
AR P10275 1/20 0.41
IDO1 P14902 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ROCK1 Q13464 1/20 0.40
SNCA P37840 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPT P10636 1/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5351817 0.84 MAPK8 (0.47) ALDH1A1HTR2AGAAKDM4EUSP2
SCHEMBL28936946 0.83 HTR2A (0.44) LTA4HHTR2AARIDO1TAAR1
SCHEMBL28711054 0.82 ALDH1A1 (0.56) ALDH1A1LTA4HGAAIDO1TAAR1
SCHEMBL5357864 0.81 CA2 (0.61) ALDH1A1GAAKDM4EUSP2AR
SCHEMBL5361388 0.79 ALDH1A1 (0.57) ALDH1A1HTR2AGAAKDM4EUSP2
SCHEMBL5360422 0.78 CYP3A4 (0.43) ALDH1A1GAAKDM4EIDO1TAAR1
SCHEMBL5361453 0.77 ALDH1A1 (0.49) ALDH1A1LTA4HGAAKDM4EUSP2
SCHEMBL11057646 0.77 CYP3A4 (0.48) ALDH1A1GAAKDM4EUSP2SNCA
SCHEMBL5351272 0.76 LTA4H (0.48) ALDH1A1LTA4HGAAIDO1TAAR1
SCHEMBL5360516 0.76 IDH1 (0.43) ALDH1A1GAAKDM4EMAPT

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 310/4885LTA4H 1325/4885HTR2A 1154/4885

“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.