SCHEMBL1721653

SCHEMBL1721653

Fc1ccc(C(F)(F)CCBr)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.34
PTPN1 P18031 2/20 0.34
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP19A1 P11511 2/20 0.32
GSK3B P49841 1/20 0.31
IDO1 P14902 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
HSD11B1 P28845 1/20 0.31
PAX8 Q06710 1/20 0.31
PLOD2 O00469 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL6352845 0.91 SIRT2 (0.33) KCNN4PTPN1USP2RAB9ACYP1A1
SCHEMBL4785402 0.81 KCNN4 (0.37) KCNN4PTPN1USP2RAB9ACYP3A4
SCHEMBL10159619 0.79 TSHR (0.46) KCNN4PTPN1CYP2C9CYP2C19
SCHEMBL1722405 0.77 KCNN4 (0.39) KCNN4USP2RAB9ACYP1A1CYP1B1
SCHEMBL15736923 0.77 IDO1 (0.41) KCNN4USP2RAB9ACYP1A1CYP1B1
SCHEMBL20603608 0.77 KCNN4 (0.34) KCNN4USP2RAB9ACYP1A1CYP1B1
SCHEMBL20603805 0.74 KCNN4 (0.32) KCNN4USP2RAB9ACYP1A1CYP1B1
SCHEMBL23232179 0.72 ALDH1A1 (0.46) KCNN4RAB9ACYP1A1CYP1B1CYP3A4
SCHEMBL1835047 0.72 CYP1A1 (0.33) KCNN4USP2RAB9ACYP1A1CYP1B1
SCHEMBL3746053 0.71 LOXL2 (0.44) KCNN4USP2RAB9ACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284286-B2 Specific carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-15 US disclosed
EP-2951156-A1 SPECIFIC CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-12-09 EP disclosed
EP-2406226-B1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-09-16 EP disclosed
WO-2014082737-A1 SPECIFIC CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2014-06-05 WO disclosed
US-20140148468-A1 SPECIFIC CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2014-05-29 US disclosed
US-8586755-B2 Substituted nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2013-11-19 US disclosed
US-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-07-19 US disclosed
US-8178684-B2 Substituted nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
EP-2406226-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP disclosed
WO-2010102809-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO disclosed
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 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 (3 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-20140148468-A1 SPECIFIC CARBOXAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 KCNN4 48/4885PTPN1 4631/4885USP2 2032/4885
US-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 KCNN4 75/4885PTPN1 4818/4885USP2 4427/4885
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 KCNN4 66/4885PTPN1 3728/4885USP2 4425/4885

“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.