SCHEMBL16982018

SCHEMBL16982018

COc1cccc(CCNCc2ccc(C(C)C)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.65
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 2/20 0.60
NPC1 O15118 1/20 0.60
CHRM2 P08172 2/20 0.56
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTR2A P28223 2/20 0.52
ATM Q13315 1/20 0.51
HTR2C P28335 1/20 0.51
TAAR1 Q96RJ0 2/20 0.50

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
SCHEMBL29194688 0.86 BCHE (0.80) BCHEKDM4EALDH1A1NPC1CHRM2
SCHEMBL9957662 0.85 CNR1 (0.49) BCHEKDM4EALDH1A1NPC1CHRM2
SCHEMBL16982017 0.84 GAA (0.64) BCHEKDM4EALDH1A1NPC1CHRM2
SCHEMBL8496610 0.82 BCHE (0.79) BCHEKDM4EALDH1A1NPC1CHRM2
SCHEMBL5177357 0.81 BCHE (0.65) BCHEKDM4EALDH1A1NPC1CHRM2
SCHEMBL18114970 0.81 CHRM2 (0.77) BCHEKDM4EALDH1A1NPC1CHRM2
SCHEMBL16980537 0.79 GAA (0.67) BCHEKDM4EALDH1A1CHRM2CHRM1
SCHEMBL18781451 0.79 GAA (0.67) BCHEKDM4EALDH1A1CHRM2CHRM1
SCHEMBL3581357 0.78 KMT2A (0.61) BCHEKDM4EALDH1A1NPC1CHRM2
SCHEMBL5947549 0.78 BCHE (0.76) BCHEKDM4EALDH1A1NPC1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 BCHE 2166/4885KDM4E 2419/4885ALDH1A1 469/4885

“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.