SCHEMBL2393442

SCHEMBL2393442

c1ccc(C(NCc2ccc(CNC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.58
KIF11 P52732 1/20 0.54
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
IDO1 P14902 2/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.40
ALOX12 P18054 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH7 P40394 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3435476 0.95 KCNN4 (0.58) KCNN4KIF11HTTRAB9AMEN1
SCHEMBL17731635 0.90 KIF11 (0.55) KCNN4KIF11HTTRAB9AIDO1
SCHEMBL14340670 0.77 KCNN4 (0.65) KCNN4KIF11ALDH1A1
SCHEMBL12264131 0.77 KIF11 (0.74) KCNN4KIF11MEN1KMT2ATDP1
SCHEMBL3626482 0.77 MEN1 (0.65) KCNN4KIF11MEN1KMT2ATDP1
SCHEMBL18797633 0.77 LTA4H (0.57) CYP3A4ALDH1A1
SCHEMBL6191803 0.77 KDM1A (0.47) KCNN4KIF11IDO1
SCHEMBL30871637 0.74 MEN1 (0.50) KCNN4KIF11MEN1KMT2ATDP1
SCHEMBL16886979 0.73 KCNN4 (0.60) KCNN4KIF11TDP1ALDH1A1
SCHEMBL2549818 0.73 KCNN4 (0.60) KCNN4KIF11ALDH1A1

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-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
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-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 (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 4235/4885KIF11 2931/4885HTT 3535/4885
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto NFATC1, ORAI1, KCNMA1 KCNN4 10/4885KIF11 4687/4885HTT 4754/4885

“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.