SCHEMBL20106672

SCHEMBL20106672

C#CCOc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.57
▸ PSEN2 P49810 2/20 0.57
▸ APH1B Q8WW43 2/20 0.57
▸ NCSTN Q92542 2/20 0.57
▸ APH1A Q96BI3 2/20 0.57
▸ PSENEN Q9NZ42 2/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ MAPT P10636 4/20 0.50
▸ TP53 P04637 3/20 0.50
▸ KMT2A Q03164 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ PKM P14618 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ GLA P06280 2/20 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
SCHEMBL13556291 0.88 MAPT (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16838614 0.87 NPC1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7625703 0.86 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1589647 0.86 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9607124 0.86 KMT2A (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10687023 0.81 KMT2A (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10687010 0.81 MEN1 (0.44) MAPTTP53KMT2ANPC1RAB9A
SCHEMBL22916132 0.80 PDE4B (0.59) MAPTKMT2AMEN1HPGDALDH1A1
SCHEMBL22916227 0.80 PDE4B (0.59) MAPTKMT2AMEN1HPGDALDH1A1
SCHEMBL12723716 0.79 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 — — 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-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA PSEN1 1095/4885PSEN2 1183/4885APH1B 3867/4885

“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.

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