SCHEMBL1635872

SCHEMBL1635872

O=C(CBr)c1ccc(F)nc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.57
GSK3B P49841 11/20 0.48
EPHX2 P34913 1/20 0.43
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
P4HA1 P13674 1/20 0.35
P4HTM Q9NXG6 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
SCHEMBL9753841 0.81 EPHX2 (0.43) EPHX2KCNQ3KCNQ2P4HA1P4HTM
SCHEMBL9670852 0.81 GSK3B (0.48) GSK3BEPHX2KCNQ3KCNQ2
SCHEMBL5327128 0.81 MAPT (0.44) EPHX2KCNQ3KCNQ2
SCHEMBL934394 0.78 GSK3B (0.55) PTPN1GSK3BP4HA1P4HTM
SCHEMBL16601153 0.78 PTPN1 (0.55) PTPN1GSK3BP4HA1P4HTM
SCHEMBL18921446 0.78 EPHX2 (0.41) EPHX2KCNQ3KCNQ2
SCHEMBL27594193 0.77 RXFP1 (0.53) EPHX2KCNQ3KCNQ2P4HA1P4HTM
SCHEMBL4598633 0.77 GABRP (0.60) PTPN1GSK3BEPHX2
Bromide SCHEMBL6118518 0.77 GSK3B (0.53) PTPN1GSK3BP4HA1P4HTM
SCHEMBL30213417 0.77 GABRP (0.60) PTPN1GSK3BEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP claimed
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 US disclosed
EP-2185524-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2010-05-19 EP disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 US disclosed
WO-2008141227-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-20 WO disclosed
EP-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP disclosed
US-4816457-A HYPOTENSIVE AGENTS, BRONCHODILATORS, EYES MERCK & CO., INC., A CORP. OF NJ 1989-03-28 US disclosed
EP-0105053-B1 ARALKYLAMINOETHANOL HETEROCYCLIC COMPOUNDS MERCK & CO. INC. (US) 1988-01-20 EP disclosed
US-4686222-A ADRENERGIC BLOCKERS, BRONCHODILATORS MERCK & CO., INC. (US) 1987-08-11 US disclosed
US-4568679-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS, BRONCHODILATOR AGENTS, REDUCING INTRAOCULAR PRESSURE MERCK & CO., INC. (US) 1986-02-04 US disclosed
EP-0105053-A1 Aralkylaminoethanol heterocyclic compounds MERCK & CO. INC. (US) 1984-04-11 EP 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-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, HDGF, EIF2AK2 PTPN1 2353/4885GSK3B 3028/4885EPHX2 3491/4885

“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.