SCHEMBL704959

SCHEMBL704959

O=Cc1ccc(O)c2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
TRIM24 O15164 2/20 0.40
TRIM33 Q9UPN9 2/20 0.40
ERN1 O75460 7/20 0.39
CDK1 P06493 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
IDO1 P14902 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESR2 Q92731 1/20 0.37
TYR P14679 2/20 0.36
HSD11B1 P28845 1/20 0.35
HSD17B2 P37059 1/20 0.35

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
SCHEMBL19249611 0.98 BCL2L1 (0.39) BCL2L1BADTRIM24TRIM33ERN1
SCHEMBL12035880 0.96 TRIM24 (0.40) BCL2L1BADTRIM24TRIM33ERN1
SCHEMBL15582368 0.79 BCL2L1 (0.41) BCL2L1BADKDM4EMEN1KMT2A
SCHEMBL3283307 0.79 BCL2L1 (0.56) BCL2L1BADKDM4EMEN1IDO1
SCHEMBL19125589 0.77 ALDH1A1 (0.41) TRIM24TRIM33ERN1KDM4EMEN1
SCHEMBL7055082 0.77 TDP1 (0.45) TRIM24TRIM33ERN1MEN1KMT2A
SCHEMBL11808621 0.75 ERN1 (0.39) ERN1MEN1RAB9AKMT2A
SCHEMBL11813225 0.75 IL1RN (0.34) TRIM24TRIM33ERN1KDM4EMEN1
SCHEMBL8296676 0.75 ALDH1A1 (0.40) TRIM24TRIM33ERN1MEN1NPC1
SCHEMBL11810972 0.75 TDP1 (0.42) ERN1MEN1KMT2ANPSR1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
EP-2257296-B1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2014-05-07 EP disclosed
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 US disclosed
US-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 US disclosed
US-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-05-10 US disclosed
US-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-05-10 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
EP-0418064-B1 Naphthalene and tetrahydronaphthalene gem-diphosphonate derivatives SYMPHAR SA (CH) 1994-12-14 EP disclosed
US-5204336-A Anticholestrol agents SYMPHAR S.A. (CH) 1993-04-20 US disclosed
EP-0418064-A2 Naphthalene and tetrahydronaphthalene gem-diphosphonate derivatives SYMPHAR S.A. (CH) 1991-03-20 EP disclosed
US-4853383-A β-blocking substituted imidazoles MERCK & CO., INC. (US) 1989-08-01 US disclosed
US-4642311-A β-adrenergic blocking imidazolylphenoxy propanolamines MERCK & CO., INC. (US) 1987-02-10 US disclosed
US-4567276-A HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1986-01-28 US disclosed
US-4440774-A ANTIHYPERTENSIVE AGENTS AND B-ANDRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1984-04-03 US disclosed
US-4199580-A HYPOTENSIVE AGENTS AND ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1980-04-22 US disclosed
US-4134983-A HYPOTENSIVE, ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1979-01-16 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 (2 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-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS HCN4, SCN2B, KCNH1 BCL2L1 2674/4885BAD 2263/4885TRIM24 4215/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B BCL2L1 2816/4885BAD 2122/4885TRIM24 2437/4885

“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.