SCHEMBL1491072

SCHEMBL1491072

Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 2/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.47
KCNN3 Q9UGI6 1/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
MBOAT4 Q96T53 1/20 0.43
HTR2C P28335 1/20 0.43
TP53 P04637 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
PPARG P37231 1/20 0.42
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
TYMS P04818 1/20 0.41
CHRM5 P08912 1/20 0.41
TEAD1 P28347 2/20 0.41
SCN5A Q14524 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
SCHEMBL3604297 0.83 ALDH1A1 (0.46) KDM4EALDH1A1TSHRKCNN3PPARD
SCHEMBL6760429 0.83 KDM4E (0.81) KDM4EALDH1A1PKMTSHR
SCHEMBL174384 0.81 KDM4E (0.62) KDM4EALDH1A1PKM
SCHEMBL1493361 0.81 KDM4E (0.67) KDM4EALDH1A1PKMMBOAT4HTR2C
Hydrochloric Acid SCHEMBL22632987 0.79 KDM4E (0.65) KDM4EALDH1A1PKMMBOAT4HTR2C
Hydrochloric Acid SCHEMBL540053 0.79 KDM4E (0.60) KDM4EALDH1A1PKM
Hydrochloric Acid SCHEMBL29442137 0.79 KDM4E (0.60) KDM4EALDH1A1PKM
SCHEMBL1491118 0.78 KDM4E (0.68) KDM4EALDH1A1PKM
SCHEMBL1491076 0.78 KDM4E (0.58) KDM4EALDH1A1PKMPPARG
SCHEMBL1491088 0.78 KDM4E (0.58) KDM4EALDH1A1PKMTSHRTP53

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 KDM4E 2955/4885ALDH1A1 3233/4885PKM 2177/4885

“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.