SCHEMBL1490481

SCHEMBL1490481

[NH]C(=O)c1ccc(I)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.59
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
GSK3B P49841 1/20 0.50
TRPV1 Q8NER1 2/20 0.42
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
APP P05067 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PHGDH O43175 1/20 0.36
PDPK1 O15530 1/20 0.36
CAPN1 P07384 1/20 0.35
CAPN2 P17655 1/20 0.35

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
SCHEMBL9389844 0.77 TPMT (0.65) TPMTCA1CA2GSK3B
SCHEMBL1994288 0.77 TPMT (0.65) TPMTCA1CA2GSK3BTRPV1
SCHEMBL1244094 0.77 TPMT (0.65) TPMTCA1CA2GSK3B
SCHEMBL3841301 0.77 TPMT (0.65) TPMTCA1CA2GSK3B
SCHEMBL3760858 0.77 TPMT (0.65) TPMTCA1CA2GSK3BPHGDH
SCHEMBL4083603 0.76 TPMT (0.55) TPMTCA1CA2GSK3BTRPV1
SCHEMBL1498129 0.74 TSHR (0.71) TPMTCA1CA2TP53TSHR
SCHEMBL213538 0.74 LMNA (0.60) CA1CA2PTPN1
SCHEMBL79334 0.74 TPMT (1.00) TPMTCA1CA2GSK3BRXRA
SCHEMBL2163424 0.74 TPMT (0.62) TPMTCA1CA2GSK3BTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
US-8524765-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-03 US disclosed
US-20130123265-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-05-16 US disclosed
US-8389567-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-05 US disclosed
US-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-11-15 US disclosed
US-8263641-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2012-09-11 US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 EP disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 US disclosed
WO-2000006176-A1 AMIDOPHOSPHATE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP disclosed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 WO disclosed
US-5739287-A BOUND ALSO TO A RECEPTOR MODULATING AGENT TO IMPEDE CELL SURFACE RECEPTOR TRAFFICKING PATHWAYS BY INHIBITING THE RECYCLING OF RECEPTORS TO THE CELL SURFACE; ANTITUMOR AND -CARCINOGENIC AGENTS; LEUKEMIA UNIVERSITY OF WASHINGTON (US) 1998-04-14 US disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed
US-5026705-A Benzimidazolylpyridazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-06-25 US disclosed
US-4923869-A INOTROPIC, VASODILATING, AND ANTITHROMBOTIC AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-05-08 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 (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-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TPMT 1869/4885CA1 1250/4885CA2 86/4885
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TPMT 1869/4885CA1 1250/4885CA2 86/4885
US-20130123265-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, ATP2A1 TPMT 1737/4885CA1 1494/4885CA2 88/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TPMT 1869/4885CA1 1250/4885CA2 86/4885

“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.