SCHEMBL4077444

SCHEMBL4077444

Cc1nn(-c2cccc(Cl)c2)c(CN)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ GAA P10253 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ PRNP P04156 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ MPO P05164 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL297804 0.82 TRPV1 (0.58) KMT2AMAPK1GAALMNAHPGD
SCHEMBL4070024 0.80 KMT2A (0.50) KMT2AMAPK1GAALMNAHPGD
SCHEMBL4077407 0.77 KMT2A (0.50) KMT2AMAPK1GAALMNAHPGD
SCHEMBL10049726 0.77 KMT2A (0.50) KMT2AMAPK1GAALMNAHPGD
SCHEMBL13172116 0.75 GAA (0.53) KMT2AMAPK1GAALMNAHPGD
SCHEMBL4069155 0.73 RXRA (0.50) KMT2AMAPK1GAALMNAHPGD
SCHEMBL23116825 0.72 RXRA (0.46) KMT2AMAPK1GAALMNAHPGD
SCHEMBL405007 0.72 ALDH1A1 (0.71) KMT2AMAPK1GAALMNAHPGD
SCHEMBL19086968 0.69 GAA (0.47) KMT2AMAPK1GAALMNAHPGD
SCHEMBL11380421 0.69 KMT2A (0.59) KMT2AMAPK1GAALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 — — US disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 — — US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 — — US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 — — US disclosed
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2015-01-08 — — US disclosed
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2014-05-22 — — US disclosed
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 — — US disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 — — US disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 — — US disclosed
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 — — US disclosed
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 — — US disclosed
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor GRUENENTHAL GMBH (DE) 2012-02-23 — — US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 — — 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 (9 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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 KMT2A 3101/4885MAPK1 3628/4885GAA 1825/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 KMT2A 2137/4885MAPK1 3409/4885GAA 2263/4885
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, OPRM1, OPRK1 KMT2A 3673/4885MAPK1 1783/4885GAA 2797/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 KMT2A 2137/4885MAPK1 3409/4885GAA 2263/4885
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 KMT2A 3713/4885MAPK1 1437/4885GAA 4048/4885
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 KMT2A 2350/4885MAPK1 3552/4885GAA 1757/4885
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 KMT2A 2350/4885MAPK1 3552/4885GAA 1757/4885
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV3 KMT2A 3936/4885MAPK1 2291/4885GAA 2687/4885
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, CNR1, CNR2 KMT2A 3781/4885MAPK1 1383/4885GAA 3667/4885

“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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