SCHEMBL460417

SCHEMBL460417

CCCCCc1cn(CCCCC)nn1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.65
HRH3 Q9Y5N1 2/20 0.65
GBA1 P04062 12/20 0.62
CYP19A1 P11511 4/20 0.60
EPHX2 P34913 1/20 0.60

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
SCHEMBL11318961 0.98 HRH4 (0.66) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL94371 0.98 HRH4 (0.66) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL21959579 0.98 HRH4 (0.66) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL19501713 0.98 HRH4 (0.66) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL15944228 0.98 HRH4 (0.66) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL24675720 0.98 HRH4 (0.66) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL19663777 0.98 HRH4 (0.66) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL15203072 0.98 HRH4 (0.66) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL25818947 0.98 HRH4 (0.66) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL25516156 0.98 HRH4 (0.66) HRH4HRH3GBA1CYP19A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011049232-A1 DIARYLTRIAZOLE DERIVATIVE AS INSECTICIDE, MITICIDE, NEMATICIDE OR SOIL PESTICIDE ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-04-28 WO claimed
CN-113614222-A Blood brain barrier in vitro 麻省理工学院 2021-11-05 CN disclosed
US-10471120-B2 Peptidomimetic macrocycles and uses thereof AILERON THERAPEUTICS, INC. (US) 2019-11-12 US disclosed
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2017-12-21 US disclosed
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-12-07 US disclosed
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-10-19 US disclosed
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-10-19 US disclosed
US-9789164-B2 Peptides comprising non-natural amino acids and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2017-10-17 US disclosed
US-9790262-B2 Compositions comprising glucagon analogs and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2017-10-17 US disclosed
US-9782454-B2 Highly active polypeptides and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2017-10-10 US disclosed
WO-2008049994-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2008-05-02 WO disclosed
CN-1938286-A Diaryltriazoles as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK & CO INC (US) 2007-03-28 CN disclosed
EP-1501505-B1 USE OF (3-(2-ETHYLPHENYL)-5-METHOXYPHENYL)-1H- 1,2,4 -TRIAZOLE FOR THE TREATMENT OF AUTOIMMUNE DISEASES SIGMA TAU IND FARMACEUTI (IT) 2006-01-18 EP disclosed
US-20050026980-A1 Use of (3-(2-ethylphenyl)-5-methoxyphenyl)-1H-[1,2,4]-triazole for the treatment of autoimmune diseases SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-02-03 US disclosed
EP-1501505-A1 USE OF (3-(2-ETHYLPHENYL)-5-METHOXYPHENYL)-1H- 1,2,4 -T RIAZOLE FOR THE TREATMENT OF AUTOIMMUNE DISEASES Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2005-02-02 EP disclosed
US-6797722-B2 Use of 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole for the treatment of autoimmune diseases SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-09-28 US disclosed
WO-2003092681-A1 USE OF (3-(2-ETHYLPHENYL)-5-METHOXYPHENYL)-1H-[1,2,4]-TRIAZOLE FOR THE TREATMENT OF AUTOIMMUNE DISEASES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-11-13 WO disclosed
US-20030207931-A1 USE OF 3-(2-ETHYLPHENYL)-5-(3-METHOXYPHENYL)-1H-1,2,4-TRIAZOLE FOR THE TREATMENT OF AUTOIMMUNE DISEASES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-11-06 US disclosed
CN-1076728-C Derivative of 2-aryl imidazo [2,1-a] isoquinoline and its use UNIV ZHEJIANG (CN) 2001-12-26 CN disclosed
CN-1228431-A Derivative of 2-aryl imidazo [2,1-a] isoquinoline and its use UNIV ZHEJIANG (CN) 1999-09-15 CN 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 (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-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL HRH4 4179/4885HRH3 4144/4885GBA1 2917/4885
US-10471120-B2 Peptidomimetic macrocycles and uses thereof TP53, TP53BP1, MDM2 HRH4 4471/4885HRH3 4541/4885GBA1 2460/4885
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP HRH4 4460/4885HRH3 3972/4885GBA1 280/4885
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 HRH4 4334/4885HRH3 3879/4885GBA1 2752/4885
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF VIP, FLT3, HAVCR2 HRH4 2338/4885HRH3 1911/4885GBA1 1054/4885

“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.