SCHEMBL461805

SCHEMBL461805

C=C[CH]NC(=O)NCC=C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.43
HPGD P15428 6/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 1/20 0.38
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL8060600 0.82 TSHR (0.56) TSHRSMN1; SMN2MAPTKMT2AHPGD
SCHEMBL252121 0.82 TSHR (0.56) TSHRSMN1; SMN2MAPTKMT2AHPGD
SCHEMBL5850172 0.78
SCHEMBL5138597 0.77 SMN1; SMN2 (0.52) TSHRSMN1; SMN2MAPTKMT2AHPGD
SCHEMBL3795914 0.75
SCHEMBL17859667 0.75 SMN1; SMN2 (0.50) TSHRSMN1; SMN2MAPTKMT2AHPGD
SCHEMBL17859666 0.75 SMN1; SMN2 (0.50) TSHRSMN1; SMN2MAPTKMT2AHPGD
SCHEMBL11830302 0.73
SCHEMBL9706909 0.73
SCHEMBL2362410 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
EP-1542718-B1 PEPTIDE DERIVATIVE FUSION INHIBITORS OF HIV INFECTION XIE DONG (US) 2015-11-11 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO disclosed
US-20140187476-A1 PEPTIDE DERIVATIVE FUSION INHIBITORS OF HIV INFECTION BAOBAB PHARMACEUTICALS LIMITED (HK) 2014-07-03 US disclosed
US-8470527-B2 Method of inhibiting HIV-1 replication by administering modified GP41 C34 peptide derivatives with enhanced pharmacological properties Frontier Biotechnologies, Co., Ltd. (CN) 2013-06-25 US disclosed
US-20120065369-A1 LONG LASTING FUSION PEPTIDE INHIBITORS FOR HIV INFECTION QURAISHI OMAR (CA) 2012-03-15 US disclosed
US-20110166061-A1 LONG LASTING FUSION PEPTIDE INHIBITORS FOR HIV INFECTION CONJUCHEM BIOTECHNOLOGIES, INC. (CA) 2011-07-07 US disclosed
US-20110028746-A1 METHOD FOR THE DECARBOXYLATIVE HYDROFORMYLATION OF ALPHA, BETA- UNSATURATED CARBOXYLIC ACIDS BASF SE (DE) 2011-02-03 US disclosed
US-20050065075-A1 Long lasting fusion peptide inhibitors for hiv infection CONJUCHEM, LLC 2005-03-24 US disclosed
WO-2004029201-A2 PEPTIDE DERIVATIVE FUSION INHIBITORS OF HIV INFECTION FRONTIER BIOTECHNOLOGIES CO., LTD (CN) 2004-04-08 WO disclosed
EP-1390399-A2 LONG LASTING FUSION PEPTIDE INHIBITORS FOR HIV INFECTION Conjuchem, Inc. (CA) 2004-02-25 EP disclosed
WO-2004011498-A2 LONG LASTING NATRIURETIC PEPTIDE DERIVATIVES CONJUCHEM INC. (CA) 2004-02-05 WO disclosed
EP-1360202-A2 LONG LASTING GLUCAGON-LIKE PEPTIDE 2 (GLP-2) FOR THE TREATMENT OF GASTROINTESTINAL DISEASES AND DISORDERS ConjuChem, Inc. (CA) 2003-11-12 EP disclosed
EP-1355941-A2 LONG LASTING GROWTH HORMONE RELEASING FACTOR DERIVATIVES ConjuChem, Inc. (CA) 2003-10-29 EP disclosed
WO-2002096935-A2 LONG LASTING FUSION PEPTIDE INHIBITORS FOR HIV INFECTION CONJUCHEM, INC. (CA) 2002-12-05 WO disclosed
WO-2002066511-A2 LONG LASTING GLUCAGON-LIKE PEPTIDE 2 (GLP-2) FOR THE TREATMENT OF GASTROINTESTINAL DISEASES AND DISORDERS CONJUCHEM INC. (CA) 2002-08-29 WO disclosed
WO-2002062844-A2 LONG LASTING GROWTH HORMONE RELEASING FACTOR DERIVATIVES CONJUCHEM INC. (CA) 2002-08-15 WO disclosed
US-4808713-A Anthypertensive pyridazo [1,2-a][1,2]diazepines HOFFMAN-LA ROCHE INC. (US) 1989-02-28 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 (6 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO TSHR 1086/4885SMN1; SMN2 1142/4885MAPT 2507/4885
US-20120065369-A1 LONG LASTING FUSION PEPTIDE INHIBITORS FOR HIV INFECTION VIP, HM13, MAVS TSHR 3276/4885SMN1; SMN2 1197/4885MAPT 2728/4885
US-20050065075-A1 Long lasting fusion peptide inhibitors for hiv infection VIP, HM13, FURIN TSHR 2862/4885SMN1; SMN2 1739/4885MAPT 3422/4885
US-20140187476-A1 PEPTIDE DERIVATIVE FUSION INHIBITORS OF HIV INFECTION VIP, HM13, BST2 TSHR 4100/4885SMN1; SMN2 4076/4885MAPT 1838/4885
US-20110028746-A1 METHOD FOR THE DECARBOXYLATIVE HYDROFORMYLATION OF ALPHA, BETA- UNSATURATED CARBOXYLIC ACIDS PCCA, CBR3, CBR1 TSHR 2153/4885SMN1; SMN2 1721/4885MAPT 4847/4885
US-20110166061-A1 LONG LASTING FUSION PEPTIDE INHIBITORS FOR HIV INFECTION VIP, HM13, FURIN TSHR 2891/4885SMN1; SMN2 1937/4885MAPT 3292/4885

“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.