SCHEMBL1491092

SCHEMBL1491092

Nc1ccnn1Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 4/20 0.53
MAOB P27338 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
MAOA P21397 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.52
PKM P14618 1/20 0.52
FAAH O00519 1/20 0.52
MGLL Q99685 1/20 0.52
PTGDR2 Q9Y5Y4 2/20 0.50
NPC1 O15118 4/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ADORA2A P29274 1/20 0.47

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
SCHEMBL568868 0.84 KDM4E (0.72) KDM4EMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL1491076 0.84 KDM4E (0.58) KDM4EMAOAALDH1A1PKMFAAH
SCHEMBL1491088 0.81 KDM4E (0.58) KDM4ERAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL6760429 0.79 KDM4E (0.81) KDM4ERAB9AMAPTSMN1; SMN2GAA
SCHEMBL1491065 0.78 KDM4E (0.55) KDM4ERAB9AMAPTALDH1A1PKM
SCHEMBL1491134 0.78 KDM4E (0.55) KDM4ERAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL174384 0.77 KDM4E (0.62) KDM4EMAPTSMN1; SMN2L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL540053 0.76 KDM4E (0.60) KDM4EMAPTSMN1; SMN2L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL29442137 0.76 KDM4E (0.60) KDM4EMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12340306 0.75 KDM4E (0.68) KDM4EGAAL3MBTL1ALDH1A1PKM

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 2955/4885RAB9A 3585/4885MAOB 623/4885

“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.