SCHEMBL2390487

SCHEMBL2390487

CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 6/20 0.44
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
OPRK1 P41145 2/20 0.41
KCNH2 Q12809 2/20 0.41
ADRA1A P35348 1/20 0.41
KIF11 P52732 1/20 0.40
MAPT P10636 2/20 0.37
CTSA P10619 1/20 0.36
ELANE P08246 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
NAPRT Q6XQN6 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 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
SCHEMBL11718872 0.83 KCNN4 (0.44) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL2392958 0.83 KCNN4 (0.49) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL12264184 0.83 GAA (0.41) KCNN4MAPTALDH1A1RAB9AMEN1
SCHEMBL8226385 0.82 KCNN4 (0.50) KCNN4KIF11MAPTELANEALDH1A1
Hydrochloric Acid SCHEMBL11718714 0.81 KCNN4 (0.42) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL2395440 0.80 KCNN4 (0.50) KCNN4KIF11MAPTELANEALDH1A1
SCHEMBL13626302 0.77 PDK1 (0.41) KCNN4MAPTALDH1A1GLARAB9A
SCHEMBL29262767 0.77 KCNN4 (0.61) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL191706 0.77 KCNN4 (0.52) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL2223266 0.77 KCNN4 (0.44) KCNN4HTR2AHTR2COPRK1KCNH2

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-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-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
EP-1248614-A4 NON-PEPTIDE INHIBITION OF T-LYMPHOCYTE ACTIVATION AND THERAPIES RELATED THERETO UNIV CALIFORNIA (US) 2005-05-04 EP 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
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 disclosed
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 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 (1 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 10/4885HTR2A 2821/4885HTR2C 2695/4885

“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.