SCHEMBL558555

SCHEMBL558555

Clc1cccc2s[c]nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 3/20 0.44
LMNA P02545 4/20 0.44
PDE10A Q9Y233 1/20 0.44
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 1/20 0.33
NR4A2 P43354 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL10411212 0.78
SCHEMBL124933 0.75 PDPK1 (0.44) LMNAMAPTHPGDKMT2AGAA
SCHEMBL211528 0.75 ALDH1A1 (0.44) LMNAMAPTHPGDKMT2AGAA
SCHEMBL7758682 0.75 MEN1 (0.41) LMNAMAPTKMT2AGAAMEN1
SCHEMBL1696135 0.75 PSMD14 (0.36)
SCHEMBL558291 0.75 SMN1; SMN2 (0.44) LMNAMAPTHPGDMAPK1KMT2A
SCHEMBL6098342 0.75 KDM4E (0.39) LMNAPDE10AMAPTHPGDKMT2A
SCHEMBL557619 0.75 MAPT (0.37) MAPT
SCHEMBL558384 0.72 MAPT (0.40) LMNAMAPTKMT2AMEN1NPC1
SCHEMBL4337978 0.72 LIMK1 (0.39) HPGDMAPK1ALDH1A1CYP2A6MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271650-B1 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP claimed
EP-2493894-B1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-29 EP claimed
EP-2493893-B1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP claimed
US-8324241-B2 Triazolo compounds useful as DGAT1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US claimed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US claimed
US-8278320-B2 Azabicyclo[2.2.1]heptane compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US claimed
EP-2493894-A1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP claimed
EP-2493893-A1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP claimed
US-20110269787-A1 Azabicyclic Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US claimed
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2011-10-27 US claimed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US claimed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 WO claimed
WO-2004072185-A1 AZO METAL DYES AND OPTICAL DATA CARRIER CONTAINING ONE SUCH AZO METAL DYE AS A LIGHT ABSORBING COMPOUND IN THE INFORMATION LAYER LANXESS DEUTSCHLAND GMBH (DE) 2004-08-26 WO claimed
WO-2004072184-A1 METAL COMPLEXES AS LIGHT-ABSORBING COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS LANXESS DEUTSCHLAND GMBH (DE) 2004-08-26 WO claimed
US-5681843-A ANTIDIABETIC; ALDOSE REDUCTASE INHIBITOR WITHOUT SUBSTANTIALLY INHIBITING ALDEHYDE REDUCATASE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US claimed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US claimed
US-4978362-A Thermoplastic resin composition containing polyalkyleneoxy-substituted azo coloring agents having trifluoromethyl substituents MILLIKEN RESEARCH CORPORATION (US) 1990-12-18 US claimed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP claimed
US-4751254-A COLORING POLURETHANES USING POLYALKOXYTRIFLUOROANILINE COMPOUNDS MILLIKEN RESEARCH CORPORATION (US) 1988-06-14 US claimed
US-4578469-A COUMARIN DYES HOECHST AKTIENGESELLSCHAFT (DE) 1986-03-25 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA2, CHRNA5 PSMB8 1160/4885LMNA 2732/4885PDE10A 1207/4885
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma MALT1, AKT1, PIK3CA PSMB8 3462/4885LMNA 1247/4885PDE10A 2876/4885
US-20110269787-A1 Azabicyclic Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA6, CHRNA5 PSMB8 2087/4885LMNA 2530/4885PDE10A 1175/4885

“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.