SCHEMBL16982003

SCHEMBL16982003

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 2/20 0.48
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 3/20 0.45
MAPT P10636 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ESRRG P62508 2/20 0.43
ESRRB O95718 1/20 0.43

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
SCHEMBL8947242 0.82 KMT2A (0.67) KMT2ASMN1; SMN2KDM4EMEN1TSHR
SCHEMBL8947304 0.81 PLK1 (0.62) KMT2ASMN1; SMN2KDM4EMEN1TSHR
SCHEMBL16982004 0.80 KMT2A (0.59) KMT2ASMN1; SMN2MEN1ALDH1A1HTT
SCHEMBL8947346 0.80 ALDH1A1 (0.58) KMT2ASMN1; SMN2KDM4EMEN1TSHR
SCHEMBL14441183 0.78 RAB9A (0.58) KMT2ASMN1; SMN2KDM4EMEN1TSHR
SCHEMBL8947262 0.78 KMT2A (0.55) KMT2ASMN1; SMN2KDM4EMEN1TSHR
SCHEMBL19634407 0.78 RAB9A (0.52) KMT2ASMN1; SMN2KDM4EMEN1TSHR
SCHEMBL15174084 0.78 PLK1 (0.55) KMT2AMEN1ALDH1A1MAPT
SCHEMBL8947232 0.78 PLK1 (0.55) KMT2AMEN1ALDH1A1MAPT
SCHEMBL8293519 0.78 CYP4A11 (0.62) KMT2AMEN1TSHRHSD17B10GAA

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 KMT2A 2207/4885SMN1; SMN2 4713/4885KDM4E 2419/4885

“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.