SCHEMBL2392348

SCHEMBL2392348

N#CC(c1ccccc1)(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.47
NFE2L2 Q16236 1/20 0.43
CCR1 P32246 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
KIF11 P52732 3/20 0.38
HTT P42858 3/20 0.37
CYP2D6 P10635 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36

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
SCHEMBL1443801 1.00 KCNN4 (0.47) KCNN4NFE2L2CCR1KCNE1KCNQ1
SCHEMBL1444134 0.85 ATM (0.45) KCNN4ALDH1A1TSHRCYP2D6NPSR1
SCHEMBL1443478 0.85 KCNN4 (0.51) KCNN4NFE2L2CCR1KCNE1KCNQ1
SCHEMBL1443951 0.84 KCNN4 (0.49) KCNN4NFE2L2KIF11HTTATM
SCHEMBL1444191 0.79 KCNN4 (0.49) KCNN4NFE2L2KCNE1KCNQ1KIF11
SCHEMBL2390778 0.77 KIF11 (0.44) CCR1TSHRKIF11ATMOPRM1
SCHEMBL17817924 0.77 TSHR (0.43) KCNN4ALDH1A1TSHRKIF11HTT
SCHEMBL2422356 0.77 ESR2 (0.56) ALDH1A1TSHRKIF11CYP3A4LMNA
SCHEMBL3950681 0.75 KCNN4 (0.54) KCNN4NFE2L2KCNE1KCNQ1ALDH1A1
SCHEMBL2391883 0.74 KCNN4 (0.46) KCNN4NFE2L2KCNE1KCNQ1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017070536-A1 METHODS AND AGENTS FOR TREATING DISEASES ANGION BIOMEDICA CORP. (US) 2017-04-27 WO 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
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-7709533-B2 Imines as ion channel modulators ICAGEN, INC. (US) 2010-05-04 US disclosed
US-20090048270-A1 Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-19 US disclosed
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 disclosed
EP-1861356-A1 IMINES AS ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-12-05 EP disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
US-20060178346-A1 Imines as ion channel modulators ICAGEN, INC. (US) 2006-08-10 US disclosed
WO-2006084031-A1 IMINES AS ION CHANNEL MODULATORS ICAGEN, INC. (US) 2006-08-10 WO disclosed
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 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-20090048270-A1 Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls PGF, VEGFA, MKI67 KCNN4 4235/4885NFE2L2 1431/4885CCR1 791/4885
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto NFATC1, ORAI1, KCNMA1 KCNN4 10/4885NFE2L2 2780/4885CCR1 331/4885
US-20060178346-A1 Imines as ion channel modulators KCNN1, KCNN3, KCNN2 KCNN4 4/4885NFE2L2 1243/4885CCR1 3798/4885

“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.