SCHEMBL16982001

SCHEMBL16982001

CNC(=O)c1ccc(CCC(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.66
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.53
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HPGD P15428 2/20 0.49
ACACB O00763 1/20 0.48
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
TSHR P16473 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL10563978 0.86 PLK1 (0.62) PLK1SMN1; SMN2KMT2AHTTMEN1
SCHEMBL22040715 0.86 HDAC1 (0.61) SMN1; SMN2KMT2AHTTMEN1HDAC2
Hydrochloric Acid SCHEMBL10565549 0.85 PLK1 (0.60) PLK1SMN1; SMN2KMT2AHTTMEN1
SCHEMBL16982004 0.84 KMT2A (0.59) PLK1SMN1; SMN2KMT2AHTTMEN1
Dimethylamine SCHEMBL1401396 0.82 GRIN2D (0.53) SMN1; SMN2KMT2AHTTMEN1HPGD
SCHEMBL8180633 0.81 PLK1 (0.63) PLK1SMN1; SMN2HTTHDAC2HDAC8
SCHEMBL10564950 0.80 PLK1 (0.63) PLK1SMN1; SMN2KMT2AHTTMEN1
SCHEMBL14131214 0.80 SLC7A5 (0.57) SMN1; SMN2KMT2AHTTMEN1HDAC8
Ammonia Solution, Strong SCHEMBL11119550 0.80 DPP4 (0.55) SMN1; SMN2KMT2AHTTMEN1
SCHEMBL104594 0.79 GRIN2D (0.57) SMN1; SMN2KMT2AHTTMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9546153-B2 Bicyclic heterocycle substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-17 US disclosed
US-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 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
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 (2 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-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK1, IRAK3 PLK1 634/4885SMN1; SMN2 3024/4885KMT2A 671/4885
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 PLK1 3030/4885SMN1; SMN2 4713/4885KMT2A 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.