SCHEMBL16982002

SCHEMBL16982002

COC(=O)CN(C)C(=O)c1ccc(CCC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.40
CYP4A11 Q02928 2/20 0.40
CYP4F2 P78329 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NAMPT P43490 2/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
MCHR1 Q99705 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LIMK2 P53671 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8295079 0.80 ALDH1A1 (0.47) ESRRGCYP4A11CYP4F2MEN1KMT2A
SCHEMBL16982007 0.79 RAB9A (0.46) HDAC1HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL8293519 0.77 CYP4A11 (0.62) CYP4A11CYP4F2F2F10PRSS1
SCHEMBL16982003 0.75 KMT2A (0.50) ESRRGF2F10TAS1R3TAS1R1
SCHEMBL95796 0.75 POLB (0.40) HDAC1HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL19555371 0.75 TDP1 (0.50) MCHR1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3035829 0.75 PHLPP2 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL23542710 0.74 ALDH1A1 (0.50) ESRRGNAMPTMCHR1TAS1R3TAS1R1
SCHEMBL1221521 0.73 ALDH1A1 (0.54) HDAC1HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL12001994 0.73 RAB9A (0.41) HDAC1HDAC6MEN1KMT2ASMN1; SMN2

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 ESRRG 3580/4885CYP4A11 173/4885CYP4F2 179/4885

“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.