SCHEMBL1395755

SCHEMBL1395755

NC(=O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.69
▸ ABCC4 O15439 1/20 0.69
▸ GAA P10253 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ PTGS1 P23219 1/20 0.69
▸ HTT P42858 1/20 0.69
▸ CA2 P00918 1/20 0.59
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.55
▸ FFAR1 O14842 2/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.52
▸ HPGD P15428 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ KDM4E B2RXH2 1/20 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
Hydrochloric Acid SCHEMBL21382514 0.98 LMNA (0.67) LMNAABCC4GAATSHRPTGS1
Acetone SCHEMBL11103575 0.94 LMNA (0.62) LMNAABCC4GAATSHRPTGS1
Pyridine SCHEMBL4161687 0.89 LMNA (0.56) LMNAABCC4GAATSHRPTGS1
SCHEMBL25676 0.86 CES1 (0.64) CA2KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL1621316 0.84 CES1 (0.61) CA2KMT2AMEN1ALDH1A1
SCHEMBL4165526 0.84 CES1 (0.61) CA2KMT2AMEN1ALDH1A1
Methane SCHEMBL2335788 0.84 CES1 (0.61) CA2KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL29642911 0.84 CES1 (0.61) CA2KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL3651517 0.84 CES1 (0.61) CA2KMT2AMEN1ALDH1A1
Phosphine SCHEMBL29287353 0.84 CES1 (0.61) CA2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101641356-B Acetamide and carboxamide derivatives of azaadamantane and methods of use thereof ABBOTT LAB 2012-09-05 — — CN claimed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 — — EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 — — EP claimed
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS ALI MOHAMMED A 2010-03-04 — — US claimed
CN-101641356-A Acetamide and carboxamide derivatives of azaadamantane and methods of use thereof ABBOTT LAB US 2010-02-03 — — CN claimed
EP-2069346-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF Abbott Laboratories (US) 2009-06-17 — — EP claimed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 — — US claimed
US-20090035302-A1 Rage Antagonists As Agents To Reverse Amyloidosis And Diseases Associated Therewith TRANSTECH PHARMA, INC. (US) 2009-02-05 — — US claimed
WO-2008118743-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2008-10-02 — — WO claimed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 — — US claimed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 — — WO claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 — — WO claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 — — EP claimed
EP-1575933-A1 ENANTIOMERS OF THIOPHENE HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HDAC INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-21 — — EP claimed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 — — EP claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 — — US claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 — — WO claimed
WO-2004054999-A1 ENANTIOMERS OF THIOPHENE HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HDAC INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-01 — — WO claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 — — US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 — — WO 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 (5 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 LMNA 75/4885ABCC4 2214/4885GAA 325/4885
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 LMNA 73/4885ABCC4 613/4885GAA 1947/4885
US-20090035302-A1 Rage Antagonists As Agents To Reverse Amyloidosis And Diseases Associated Therewith AGER, APP, BACE1 LMNA 264/4885ABCC4 985/4885GAA 275/4885
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS REN, IAPP, ACE LMNA 4240/4885ABCC4 898/4885GAA 241/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 LMNA 769/4885ABCC4 672/4885GAA 1031/4885

“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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