SCHEMBL1491063

SCHEMBL1491063

COc1cc(C)c(Cn2nccc2N)cc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ATM Q13315 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL1491073 0.81 KDM4E (0.46) MAPTLMNAKDM4EPOLBALDH1A1
SCHEMBL1491075 0.80 KDM4E (0.50) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL1491062 0.78 MEN1 (0.49) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL1491059 0.78 NPBWR1 (0.48) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL1491082 0.77 APLNR (0.50) MAPTLMNAKDM4EPOLBALDH1A1
SCHEMBL1491091 0.75 CHRM2 (0.47) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL11651609 0.74 KDM4E (0.45) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL28863558 0.74 KDM4E (0.43) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL1491095 0.74 KDM4E (0.53) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL1491108 0.74 LMNA (0.55) KMT2ALMNAKDM4EALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R MAPT 1288/4885MEN1 683/4885KMT2A 1510/4885

“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.