SCHEMBL16982016

SCHEMBL16982016

CC(C)c1ccc(CNCCc2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.68
LMNA P02545 2/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
LTA4H P09960 1/20 0.55
EPHX2 P34913 1/20 0.55
CYP3A4 P08684 1/20 0.54
CHRM2 P08172 1/20 0.51
MITF O75030 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
GPR35 Q9HC97 1/20 0.51

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
SCHEMBL16980537 0.85 GAA (0.67) L3MBTL1KDM4EALDH1A1CA12CA1
SCHEMBL16982019 0.85 L3MBTL1 (0.57) L3MBTL1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL18781451 0.85 GAA (0.67) L3MBTL1KDM4EALDH1A1CA12CA1
SCHEMBL29579969 0.82 L3MBTL1 (0.70) L3MBTL1ALDH1A1CHRM2MAPK1NPSR1
SCHEMBL16982017 0.81 GAA (0.64) L3MBTL1LMNAKDM4EALDH1A1CA12
SCHEMBL10399489 0.79 KDM4E (0.84) L3MBTL1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL4397639 0.78 L3MBTL1 (0.63) L3MBTL1LMNAKDM4EALDH1A1MAPK1
SCHEMBL3240146 0.77 L3MBTL1 (0.69) L3MBTL1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL11922726 0.77 L3MBTL1 (0.64) L3MBTL1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL10045143 0.77 L3MBTL1 (0.64) L3MBTL1CYP1A2CYP2D6CYP2C19KDM4E

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 L3MBTL1 4553/4885LMNA 4014/4885CYP1A2 42/4885

“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.