SCHEMBL1491083

SCHEMBL1491083

Cc1ccc(Cn2nccc2N)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
ALDH1A1 P00352 2/20 0.56
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
SLC2A1 P11166 1/20 0.42
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL6760429 0.90 KDM4E (0.81) KDM4EALDH1A1PKMSMN1; SMN2HTT
SCHEMBL1491057 0.83 KDM4E (0.70) KDM4EALDH1A1PKMSMN1; SMN2HTT
SCHEMBL1491104 0.82 KDM4E (0.58) KDM4EALDH1A1PKMSMN1; SMN2HTT
SCHEMBL12340306 0.81 KDM4E (0.68) KDM4EALDH1A1PKMNPC1LMNA
SCHEMBL1491118 0.81 KDM4E (0.68) KDM4EALDH1A1PKMHTTLMNA
SCHEMBL568868 0.81 KDM4E (0.72) KDM4EALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL1491110 0.81 KDM4E (1.00) KDM4EALDH1A1PKMSMN1; SMN2LMNA
SCHEMBL1491055 0.81 KDM4E (0.62) KDM4EALDH1A1PKMGAAPOLB
SCHEMBL174384 0.81 KDM4E (0.62) KDM4EALDH1A1PKMSMN1; SMN2MAPT
SCHEMBL1613253 0.81 KDM4E (0.62) KDM4EALDH1A1PKMHTTLMNA

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 4 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
US-4097475-A FOR POLYESTERS AND BLENDS WITH CELLULOSE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-06-27 US 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.