SCHEMBL1491075

SCHEMBL1491075

COc1ccc(Cn2nccc2N)cc1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
CRHBP P24387 3/20 0.48
CRHR2 Q13324 3/20 0.48
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
DBH P09172 1/20 0.45
MAPT P10636 2/20 0.44
NPBWR1 P48145 1/20 0.39
SLC2A1 P11166 1/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38

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
SCHEMBL1491108 0.88 LMNA (0.55) KDM4ESMN1; SMN2LMNAALDH1A1PKM
SCHEMBL1491124 0.84 KDM4E (0.49) KDM4ESMN1; SMN2LMNAALDH1A1PKM
SCHEMBL1491063 0.80 MAPT (0.44) KDM4ESMN1; SMN2LMNAALDH1A1PKM
SCHEMBL1491095 0.79 KDM4E (0.53) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL1491104 0.78 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1PKMMAPT
SCHEMBL174384 0.77 KDM4E (0.62) KDM4ESMN1; SMN2ALDH1A1PKMMAPT
SCHEMBL28863558 0.77 KDM4E (0.43) KDM4EALDH1A1PKMMEN1KMT2A
Hydrochloric Acid SCHEMBL29442137 0.76 KDM4E (0.60) KDM4ESMN1; SMN2ALDH1A1PKMMAPT
Hydrochloric Acid SCHEMBL540053 0.76 KDM4E (0.60) KDM4ESMN1; SMN2ALDH1A1PKMMAPT
SCHEMBL6760429 0.76 KDM4E (0.81) KDM4ESMN1; SMN2LMNAALDH1A1PKM

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 2955/4885SMN1; SMN2 4215/4885CRHBP 441/4885

“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.