SCHEMBL16982007

SCHEMBL16982007

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
USP5 P45974 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C9 P11712 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
FASN P49327 1/20 0.40
POLB P06746 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
SCHEMBL12545787 0.84 POLB (0.47) RAB9ASMN1; SMN2L3MBTL1NPC1ALDH1A1
SCHEMBL3035829 0.83 PHLPP2 (0.45) RAB9AHPGDMAPTSMN1; SMN2NPC1
SCHEMBL19555371 0.83 TDP1 (0.50) RAB9AHPGDMAPTSMN1; SMN2L3MBTL1
SCHEMBL13496824 0.83 ACACB (0.46) RAB9AHPGDMAPTHDAC1HDAC6
SCHEMBL24904347 0.83 HDAC6 (0.59) RAB9AHPGDHDAC1HDAC6SMN1; SMN2
SCHEMBL95796 0.80 POLB (0.40) RAB9AHPGDHDAC1HDAC6SMN1; SMN2
SCHEMBL10169810 0.80 USP5 (0.47) RAB9AHPGDMAPTHDAC1HDAC6
SCHEMBL16982002 0.79 ESRRG (0.40) RAB9AHDAC1HDAC6SMN1; SMN2NPC1
SCHEMBL16980496 0.79 RAB9A (0.50) RAB9AHPGDMAPTSMN1; SMN2L3MBTL1
SCHEMBL1221521 0.77 ALDH1A1 (0.54) HPGDMAPTHDAC1HDAC6SMN1; 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 RAB9A 3139/4885HPGD 523/4885MAPT 3627/4885

“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.