SCHEMBL13556291

SCHEMBL13556291

C#CCOc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ TP53 P04637 1/20 0.54
▸ PSEN1 P49768 1/20 0.51
▸ PSEN2 P49810 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ APH1B Q8WW43 1/20 0.51
▸ NCSTN Q92542 1/20 0.51
▸ APH1A Q96BI3 1/20 0.51
▸ PSENEN Q9NZ42 1/20 0.51
▸ NPC1 O15118 13/20 0.49
▸ RAB9A P51151 13/20 0.49
▸ SMN1; SMN2 Q16637 9/20 0.49
▸ ALDH1A1 P00352 8/20 0.49
▸ MEN1 O00255 7/20 0.49
▸ KMT2A Q03164 7/20 0.49
▸ KDM4E B2RXH2 7/20 0.49
▸ HPGD P15428 5/20 0.49
▸ PKM P14618 4/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ LMNA P02545 7/20 0.48

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
SCHEMBL20106672 0.88 PSEN1 (0.57) MAPTTP53PSEN1PSEN2KCNH2
SCHEMBL16838614 0.83 NPC1 (0.51) MAPTTP53PSEN1PSEN2KCNH2
SCHEMBL12723535 0.78 MAPT (0.71) MAPTTP53PSEN1PSEN2KCNH2
SCHEMBL12723353 0.76 ATP4A (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL12723653 0.76 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12723716 0.76 PSEN1 (0.66) MAPTTP53PSEN1PSEN2KCNH2
SCHEMBL1589647 0.75 PSEN1 (0.65) MAPTTP53PSEN1PSEN2KCNH2
SCHEMBL7625703 0.75 PSEN1 (0.65) MAPTTP53PSEN1PSEN2KCNH2
SCHEMBL12723254 0.75 NPC1 (0.54) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL9607124 0.74 KMT2A (0.57) MAPTTP53PSEN1PSEN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 — — US disclosed
US-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 — — US disclosed
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 — — US disclosed
US-9951087-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-04-24 — — US disclosed
US-9839640-B2 Methods of treating eye diseases associated with inflammation and vascular proliferation OCCURX PTY LTD (AU) 2017-12-12 — — US disclosed
US-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-09-24 — — US disclosed
US-9062076-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-06-23 — — US disclosed
US-20130310386-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION FIBROTECH THERAPEUTICS PTY LTD (AU) 2013-11-21 — — US disclosed
US-20120270863-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2012-10-25 — — 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 (6 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-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 MAPT 4668/4885TP53 1592/4885PSEN1 3944/4885
US-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MAPT 1865/4885TP53 3855/4885PSEN1 1095/4885
US-20130310386-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MAPT 1865/4885TP53 3855/4885PSEN1 1095/4885
US-20120270863-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 MAPT 4668/4885TP53 1592/4885PSEN1 3944/4885
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MAPT 1865/4885TP53 3855/4885PSEN1 1095/4885
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MAPT 1865/4885TP53 3855/4885PSEN1 1095/4885

“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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