SCHEMBL4538229

SCHEMBL4538229

Cc1nc(-c2cccc(C=O)c2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 5/20 0.55
PRMT6 Q96LA8 1/20 0.54
GFER P55789 1/20 0.51
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
ESR2 Q92731 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 4/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SCN9A Q15858 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL13675484 0.83 ALDH1A1 (0.59) RECQLTSHRHTTGFERMAPT
SCHEMBL4812210 0.82 RECQL (0.57) RECQLTSHRHTTPRMT6GFER
SCHEMBL249591 0.80 RAB9A (0.57) RECQLTSHRHTTMAPTALDH1A1
SCHEMBL8257849 0.78 RECQL (0.70) RECQLTSHRHTTPRMT6GFER
SCHEMBL10657865 0.77 KDM4E (0.55) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL10076588 0.77 RECQL (0.68) RECQLTSHRHTTPRMT6GFER
SCHEMBL982911 0.76 RECQL (0.66) RECQLTSHRHTTPRMT6GFER
SCHEMBL8700799 0.76 KDM4E (0.68) RECQLTSHRHTTPRMT6GFER
SCHEMBL219238 0.76 RECQL (1.00) RECQLTSHRHTTPRMT6GFER
SCHEMBL4821852 0.76 ALDH1A1 (0.68) RECQLTSHRHTTPRMT6GFER

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 9 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
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US 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
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO disclosed
WO-2007101213-A2 NOVEL 2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINES, BICYCLIC PYRIMIDINE DIONES AND IMIDAZOLIDINE-2,4-DIONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-09-07 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 (2 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 RECQL 2034/4885TSHR 136/4885HTT 2161/4885
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers SCN5A, SCN2A, CACNA1G RECQL 3840/4885TSHR 1643/4885HTT 362/4885

“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.