SCHEMBL4754996

SCHEMBL4754996

COc1ccc(O)c(CNCc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.66
CA2 P00918 3/20 0.66
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
PKM P14618 1/20 0.57
TACR3 P29371 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL5804756 0.81 MEN1 (0.57) LMNAGAAMEN1KMT2A
SCHEMBL31651461 0.81 MEN1 (0.57) LMNAGAAMEN1KMT2A
SCHEMBL8880359 0.80 APLNR (0.78) TACR3KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL10886823 0.80 CA1 (0.72) CA1CA2LMNAGAAALDH1A1
SCHEMBL8686118 0.80 TDP1 (0.56) LMNAGAA
Hydrochloric Acid SCHEMBL11092397 0.79 APLNR (0.76) TACR3KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL14023240 0.78 TACR3 (0.54) TACR3KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL1279045 0.78 HTT (0.73) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL25609396 0.78 CA1 (0.59) CA1CA2LMNAGAA
SCHEMBL11984339 0.77 LMNA (0.49) CA1CA2LMNAGAAMAOA

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
WO-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 WO disclosed
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 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-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 CA1 647/4885CA2 381/4885LMNA 993/4885

“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.