SCHEMBL16154995

SCHEMBL16154995

COC(=O)c1cccc2cnc(C)cc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
SCN9A Q15858 1/20 0.43
PSMD14 O00487 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 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 1/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1A P48039 1/20 0.40
AXL P30530 1/20 0.40

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
SCHEMBL16154997 0.88 KDM4E (0.46) KDM4ECYP1A2CYP2A6SCN9APSMD14
SCHEMBL14893850 0.84 KDM4E (0.50) KDM4ESCN9APSMD14ALDH1A1HPGD
SCHEMBL14893790 0.84 ALDH1A1 (0.46) KDM4ESCN9APSMD14ALDH1A1HPGD
SCHEMBL31522776 0.83 NR4A1 (0.50) KDM4ECYP1A2CYP2A6ALDH1A1HPGD
SCHEMBL31522781 0.81 KDM4E (0.56) KDM4ECYP1A2CYP2A6ALDH1A1
SCHEMBL19733167 0.80 ALDH1A1 (0.56) KDM4ESCN9AALDH1A1HPGDNPSR1
SCHEMBL31522787 0.80 L3MBTL1 (0.52) ALDH1A1SLC6A2SLC6A3TSHRMEN1
SCHEMBL29403597 0.79 ALDH1A1 (0.54) KDM4ESCN9AALDH1A1HPGDNPSR1
SCHEMBL6761980 0.79 ALDH1A1 (0.54) KDM4ESCN9AALDH1A1HPGDNPSR1
SCHEMBL1595439 0.78 LMNA (0.46) KDM4ESCN9APSMD14ALDH1A1HPGD

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 1753/4885CYP1A2 1243/4885CYP2A6 1073/4885

“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.