SCHEMBL4539618

SCHEMBL4539618

COC(=O)c1cccc(-c2nccs2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.45
ECE1 P42892 1/20 0.45
CES1 P23141 2/20 0.44
RAB9A P51151 2/20 0.43
CYP1A2 P05177 3/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
SRC P12931 2/20 0.42
ZAP70 P43403 2/20 0.42
CDK2 P24941 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 2/20 0.42
TACR3 P29371 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL30363842 0.85 CYP1A2 (0.59) RAB9ACYP1A2HSP90AA1MAPTGAA
SCHEMBL29595815 0.79 MAPT (0.54) CES1RAB9ACYP1A2MAPTGAA
SCHEMBL23037197 0.79 MAPT (0.54) CES1RAB9ACYP1A2MAPTGAA
SCHEMBL29559957 0.76 KDM4E (0.53) CES1RAB9ACYP1A2HSP90AA1MAPT
SCHEMBL20399998 0.76 KDM4E (0.53) CES1RAB9ACYP1A2HSP90AA1MAPT
SCHEMBL4902877 0.76 RAB9A (0.61) SYKRAB9ACYP1A2CYP1A1CYP1B1
SCHEMBL27662885 0.76 SYK (0.47) SYKRAB9ACYP1A2CYP1A1CYP1B1
SCHEMBL3533326 0.75 GRM5 (0.53) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL320331 0.75 HSP90AA1 (0.47) SYKECE1RAB9ASRCZAP70
SCHEMBL27911185 0.74 RAB9A (0.43) SYKECE1RAB9ACYP1A2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO 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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R SYK 1355/4885ECE1 1050/4885CES1 1277/4885

“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.