SCHEMBL7301130

SCHEMBL7301130

CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.76
NPC1 O15118 4/20 0.75
RAB9A P51151 4/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
MAPT P10636 1/20 0.75
XBP1 P17861 1/20 0.75
MAPK1 P28482 1/20 0.75
HTT P42858 1/20 0.75
HDAC3 O15379 1/20 0.73
HDAC11 Q96DB2 1/20 0.73
HDAC8 Q9BY41 1/20 0.73
HDAC6 Q9UBN7 1/20 0.73
PTPN1 P18031 1/20 0.69
MITF O75030 1/20 0.67
ATM Q13315 1/20 0.66
NR1H4 Q96RI1 2/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63

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
SCHEMBL21652312 1.00 TRPV1 (0.76) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1687868 1.00 TRPV1 (0.76) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7303163 0.91 HDAC3 (0.86) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28329529 0.89 SIRT1 (0.61) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28563049 0.87 TRPV1 (0.59) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10684470 0.87 PTPN1 (0.88) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23352870 0.87 TRPV1 (0.67) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5222902 0.86 NR1H4 (0.67) TRPV1MEN1KMT2ANR1H4
SCHEMBL9179385 0.85 PTPN1 (0.67) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28330757 0.85 SIRT1 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US disclosed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP 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 (1 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-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds KCNQ3, KCNQ1, KCNQ5 TRPV1 75/4885NPC1 1085/4885RAB9A 3102/4885

“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.