SCHEMBL16154997

SCHEMBL16154997

COC(=O)c1cccc2cc(C)ncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SCN9A Q15858 1/20 0.46
PSMD14 O00487 2/20 0.45
LCK P06239 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PARP1 P09874 1/20 0.42
HSD17B10 Q99714 1/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL16154995 0.88 KDM4E (0.43) KDM4EALDH1A1HPGDNPSR1SCN9A
SCHEMBL21836978 0.85 LCK (0.47) KDM4EALDH1A1HPGDNPSR1SCN9A
SCHEMBL14894015 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDNPSR1SCN9A
SCHEMBL14893578 0.84 ALDH1A1 (0.46) KDM4EALDH1A1HPGDNPSR1SCN9A
SCHEMBL5658379 0.84 KDM4E (0.48) KDM4EALDH1A1HPGDNPSR1SCN9A
SCHEMBL19733167 0.80 ALDH1A1 (0.56) KDM4EALDH1A1HPGDNPSR1SCN9A
SCHEMBL29403597 0.79 ALDH1A1 (0.54) KDM4EALDH1A1HPGDNPSR1SCN9A
SCHEMBL6761980 0.79 ALDH1A1 (0.54) KDM4EALDH1A1HPGDNPSR1SCN9A
SCHEMBL27398809 0.78 ALDH1A1 (0.50) KDM4EALDH1A1HPGDNPSR1SCN9A
SCHEMBL1595439 0.78 LMNA (0.46) KDM4EALDH1A1HPGDNPSR1SCN9A

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-9273040-B2 Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2016-03-01 US disclosed
US-20140303143-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC 2014-10-09 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-20140303143-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN7A, SCN1A, CACNA1E KDM4E 1753/4885ALDH1A1 910/4885HPGD 1118/4885

“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.