SCHEMBL16982017

SCHEMBL16982017

COc1ccc(CCNCc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ATM Q13315 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA9 Q16790 1/20 0.59
BCHE P06276 1/20 0.59
MAPT P10636 1/20 0.58
ALDH1A1 P00352 4/20 0.57
CHRM2 P08172 1/20 0.57
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MITF O75030 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL16982018 0.84 BCHE (0.65) MEN1KMT2AATML3MBTL1BCHE
SCHEMBL9973207 0.83 SMN1; SMN2 (0.49) GAAMEN1KMT2AATMCA12
SCHEMBL16982019 0.82 L3MBTL1 (0.57) GAAMEN1KMT2AL3MBTL1CA12
SCHEMBL18781451 0.82 GAA (0.67) GAAMEN1KMT2AATML3MBTL1
SCHEMBL16980537 0.82 GAA (0.67) GAAMEN1KMT2AATML3MBTL1
SCHEMBL12131075 0.82 MEN1 (0.85) GAAMEN1KMT2AATMCA12
SCHEMBL10032816 0.82 MEN1 (0.85) GAAMEN1KMT2AATMCA12
SCHEMBL16982016 0.81 L3MBTL1 (0.68) MEN1KMT2AL3MBTL1CA12CA1
SCHEMBL2938432 0.79 CHRM2 (0.78) GAAMEN1KMT2AATMCA12
SCHEMBL28661867 0.79 SMN1; SMN2 (0.65) GAAMEN1KMT2AATMCA12

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 GAA 442/4885MEN1 4596/4885KMT2A 2207/4885

“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.