SCHEMBL4077407

SCHEMBL4077407

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MAPK1 P28482 1/20 0.50
PKM P14618 1/20 0.47
GAA P10253 4/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALPG P10696 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MEN1 O00255 3/20 0.45
PRNP P04156 1/20 0.45
MPO P05164 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
PLK1 P53350 1/20 0.41

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
SCHEMBL4165543 0.81 TRPV1 (0.50) KMT2AMAPK1GAALMNASMN1; SMN2
SCHEMBL10049726 0.81 KMT2A (0.50) KMT2AMAPK1PKMGAALMNA
SCHEMBL4070024 0.81 KMT2A (0.50) KMT2AMAPK1PKMGAALMNA
SCHEMBL28318917 0.79 SMN1; SMN2 (0.52) KMT2AMAPK1LMNASMN1; SMN2MAPT
SCHEMBL4069155 0.77 RXRA (0.50) KMT2AMAPK1PKMGAALMNA
SCHEMBL4077444 0.77 KMT2A (0.47) KMT2AMAPK1PKMGAALMNA
SCHEMBL405007 0.72 ALDH1A1 (0.71) KMT2AMAPK1PKMGAALMNA
SCHEMBL15330453 0.72 CYP1A2 (0.39) KMT2AMAPK1GAALMNASMN1; SMN2
SCHEMBL11380421 0.72 KMT2A (0.59) KMT2AMAPK1PKMGAALMNA
SCHEMBL18055499 0.71 MAPT (0.64) 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-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US disclosed
US-20120115893-A1 Substituted Bicyclic 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 3628/4885PKM 2242/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 KMT2A 2137/4885MAPK1 3409/4885PKM 1827/4885
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, OPRM1, OPRK1 KMT2A 3673/4885MAPK1 1783/4885PKM 2278/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 KMT2A 2137/4885MAPK1 3409/4885PKM 1827/4885
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 KMT2A 3713/4885MAPK1 1437/4885PKM 2786/4885
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 KMT2A 2350/4885MAPK1 3552/4885PKM 1814/4885
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 KMT2A 2350/4885MAPK1 3552/4885PKM 1814/4885
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV3 KMT2A 3936/4885MAPK1 2291/4885PKM 1460/4885
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, CNR1, CNR2 KMT2A 3781/4885MAPK1 1383/4885PKM 2287/4885

“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.