SCHEMBL2391892

SCHEMBL2391892

Fc1ccc(C(c2ccccc2)(c2ccccc2)n2cccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 6/20 0.58
KCNA3 P22001 2/20 0.58
NR1I2 O75469 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
TBXA2R P21731 2/20 0.48
CCKBR P32239 2/20 0.48
OPRK1 P41145 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KCNH2 Q12809 2/20 0.48
NR1H4 Q96RI1 2/20 0.48
MLNR O43193 1/20 0.48
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
KCNA5 P22460 1/20 0.35
USP2 O75604 2/20 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
SCHEMBL2392374 0.89 KCNN4 (0.69) KCNN4KCNA3NR1I2ADORA3TBXA2R
SCHEMBL2403558 0.86 KCNN4 (0.58) KCNN4KCNA3NR1I2ADORA3TBXA2R
SCHEMBL1750941 0.83 KCNN4 (0.58) KCNN4KCNA3NR1I2ADORA3TBXA2R
SCHEMBL2361042 0.83 KCNN4 (0.67) KCNN4KCNA3NR1I2ADORA3TBXA2R
SCHEMBL20772229 0.83 KCNN4 (0.58) KCNN4KCNA3NR1I2ADORA3TBXA2R
SCHEMBL2338372 0.80 KCNN4 (0.72) KCNN4KCNA3NR1I2ADORA3TBXA2R
SCHEMBL11199996 0.79 KCNN4 (0.54) KCNN4KCNA3L3MBTL1CYP11B1CYP11B2
SCHEMBL9182074 0.79 KCNN4 (0.57) KCNN4KCNA3NR1I2ADORA3TBXA2R
SCHEMBL2392101 0.77 KCNN4 (0.72) KCNN4KCNA3NR1I2ADORA3TBXA2R
SCHEMBL9181765 0.75 KCNN4 (0.50) KCNN4KCNA3L3MBTL1CYP11B1CYP11B2

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-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 claimed
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 4235/4885KCNA3 4627/4885NR1I2 4061/4885
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto NFATC1, ORAI1, KCNMA1 KCNN4 10/4885KCNA3 46/4885NR1I2 1212/4885

“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.