SCHEMBL1491124

SCHEMBL1491124

COc1ccc(Cn2nccc2N)cc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
DBH P09172 1/20 0.46
ALDH1A1 P00352 4/20 0.44
PKM P14618 2/20 0.44
CSF1R P07333 1/20 0.44
CYP17A1 P05093 1/20 0.44
PKLR P30613 1/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BRD4 O60885 1/20 0.41
CYP19A1 P11511 1/20 0.41
PTGER4 P35408 1/20 0.41
ROCK2 O75116 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
SCHEMBL1491108 0.87 LMNA (0.55) KDM4EALDH1A1PKMSMN1; SMN2LMNA
SCHEMBL1491075 0.84 KDM4E (0.50) KDM4EDBHALDH1A1PKMSMN1; SMN2
SCHEMBL16832316 0.78 SLC2A1 (0.62) KDM4EDBHALDH1A1PKMCSF1R
SCHEMBL1491095 0.78 KDM4E (0.53) KDM4EALDH1A1PKMTDP1CYP19A1
SCHEMBL3608082 0.78 CYP17A1 (0.48) DBHALDH1A1PKMCSF1RCYP17A1
SCHEMBL174384 0.76 KDM4E (0.62) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL28863558 0.76 KDM4E (0.43) KDM4EALDH1A1PKML3MBTL1
Hydrochloric Acid SCHEMBL29442137 0.75 KDM4E (0.60) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL540053 0.75 KDM4E (0.60) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL6760429 0.75 KDM4E (0.81) KDM4EALDH1A1PKMSMN1; SMN2LMNA

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 2955/4885DBH 1385/4885ALDH1A1 3233/4885

“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.