SCHEMBL4534663

SCHEMBL4534663

O=Cc1cccc(-c2nccs2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
HSP90AA1 P07900 1/20 0.47
PDPK1 O15530 1/20 0.42
SYK P43405 8/20 0.41
SRC P12931 2/20 0.41
ZAP70 P43403 2/20 0.41
CDK2 P24941 1/20 0.41
CYP1A1 P04798 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP1B1 Q16678 3/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2A6 P11509 1/20 0.38
HTR2B P41595 1/20 0.37
METAP1 P53582 1/20 0.36
CFTR P13569 1/20 0.36

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
SCHEMBL4902877 0.82 RAB9A (0.61) RAB9AHSP90AA1PDPK1SYKSRC
SCHEMBL2151538 0.75 CCR1 (0.48) RAB9AHSP90AA1ALDH1A1
SCHEMBL29476108 0.75 CCR1 (0.48) RAB9AHSP90AA1ALDH1A1
SCHEMBL4905135 0.74 RAB9A (0.53) RAB9AHSP90AA1PDPK1SYKSRC
SCHEMBL2730329 0.74 RAB9A (0.53) RAB9AHSP90AA1PDPK1SYKSRC
SCHEMBL9287533 0.74 CCR1 (0.54) RAB9AHSP90AA1PDPK1SYKSRC
SCHEMBL30514101 0.72 KDM4E (0.66) RAB9ACYP1A2ALDH1A1
SCHEMBL2030486 0.72 KDM4E (0.66) RAB9ACYP1A2ALDH1A1
SCHEMBL20400251 0.72 KDM4E (0.63) RAB9AHSP90AA1CYP1A2ALDH1A1CYP2A6
SCHEMBL3165466 0.72 KDM4E (0.63) RAB9AHSP90AA1CYP1A2ALDH1A1CYP2A6

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 11 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
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 CN disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO disclosed
EP-0946546-B1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PF MEDICAMENT (FR) 2003-06-25 EP disclosed
CN-1098263-C Pyridin-2-yl-methylamine derivatives, method of preparing and application as medicine PF MEDICAMENT (FR) 2003-01-08 CN disclosed
US-6020345-A Pyridin-2-yl-methylamine derivatives, method of preparing and application as medicine PIERRE FABRE MEDICAMENT (FR) 2000-02-01 US disclosed
EP-0946546-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1999-10-06 EP disclosed
WO-1998022459-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-05-28 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 RAB9A 1662/4885HSP90AA1 4387/4885PDPK1 1902/4885

“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.