SCHEMBL2391883

SCHEMBL2391883

N#CC(c1ccccc1)(c1ccccc1)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 6/20 0.46
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
KIF11 P52732 4/20 0.38
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TBXA2R P21731 1/20 0.36
CCKBR P32239 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.35
CYP2D6 P10635 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL1443478 0.93 KCNN4 (0.51) KCNN4KCNE1KCNQ1KIF11MLNR
Dimethylamine SCHEMBL2394420 0.93 KCNN4 (0.41) KCNN4KCNE1KCNQ1KIF11MLNR
SCHEMBL1444191 0.88 KCNN4 (0.49) KCNN4KCNE1KCNQ1KIF11MLNR
SCHEMBL2394417 0.81 KCNH2 (0.41) KCNN4KCNH2TSHRALDH1A1
SCHEMBL1444134 0.77 ATM (0.45) KCNN4TSHRALDH1A1ATMCYP2D6
SCHEMBL2392141 0.75 KCNN4 (0.53) KCNN4KIF11NR1I2ADORA3TBXA2R
SCHEMBL11496292 0.75 CYP3A4 (0.36) KCNN4KIF11TSHRALDH1A1ATM
SCHEMBL11008323 0.74 KCNN4 (0.42) KCNN4KCNE1KCNQ1KIF11MLNR
SCHEMBL2392348 0.74 KCNN4 (0.47) KCNN4KCNE1KCNQ1KIF11MLNR
SCHEMBL1443801 0.74 KCNN4 (0.47) KCNN4KCNE1KCNQ1KIF11MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-12-20 US claimed
EP-1248614-A4 NON-PEPTIDE INHIBITION OF T-LYMPHOCYTE ACTIVATION AND THERAPIES RELATED THERETO UNIV CALIFORNIA (US) 2005-05-04 EP claimed
US-6803375-B1 IMMUNOMODULATION IN A MAMMALIAN PATIENT WITHOUT CAUSING SUBSTANTIAL INHIBITION OF CYTOCHROME P-450 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-10-12 US claimed
EP-1248614-A2 NON-PEPTIDE INHIBITION OF T-LYMPHOCYTE ACTIVATION AND THERAPIES RELATED THERETO The Regents of The University of California (US) 2002-10-16 EP claimed
WO-2001049663-A2 NON-PEPTIDE INHIBITION OF T-LYMPHOCYTE ACTIVATION AND THERAPIES RELATED THERETO THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-07-12 WO claimed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
WO-2011034860-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS ICAGEN, INC. (US) 2011-03-24 WO disclosed
US-20100056637-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS ICAGEN, INC. (US) 2010-03-04 US disclosed
US-20100056637-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS ICAGEN, INC. (US) 2010-03-04 US disclosed
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed
US-20040127464-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease BRUGNARA CARLO (US) 2004-07-01 US disclosed
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease BRUGNARA CARLO (US) 2002-08-29 US disclosed
US-6331564-B1 TREATING DIARRHEA CAUSED BY INFLAMMATORY BOWEL DISEASE, AUTOIMMUNE DISEASES SUCH AS LUPUS, GLOMERULONEPHRITIS ION PHARMACEUTICALS, INC. 2001-12-18 US disclosed
EP-0918514-A4 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE HARVARD COLLEGE (US) 2001-05-09 EP disclosed
CN-1251037-A Triarylmethane compounds for sickle cell disease HARVARD COLLEGE (US) 2000-04-19 CN disclosed
US-6028103-A Triaryl methane compounds and analogues thereof useful for the treatment or prevention of sickle cell disease or diseases characterized by abnormal cell proliferation CHILDREN'S MEDICAL CENTER CORPORATION (US) 2000-02-22 US disclosed
EP-0918514-A1 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-06-02 EP disclosed
WO-1997034589-A1 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1997-09-25 WO 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 (4 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-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto NFATC1, ORAI1, KCNMA1 KCNN4 10/4885KCNE1 83/4885KCNQ1 180/4885
US-20040127464-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO KCNN4 18/4885KCNE1 941/4885KCNQ1 1861/4885
US-20100056637-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS LTC4S, LTB4R2, CYSLTR2 KCNN4 2132/4885KCNE1 2203/4885KCNQ1 646/4885
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO KCNN4 18/4885KCNE1 941/4885KCNQ1 1861/4885

“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.