SCHEMBL3867743

SCHEMBL3867743

O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCCc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.59
▸ ALDH1A1 P00352 7/20 0.56
▸ NPSR1 Q6W5P4 4/20 0.56
▸ MAPT P10636 3/20 0.56
▸ TSHR P16473 2/20 0.56
▸ TP53 P04637 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ LMNA P02545 5/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ CA2 P00918 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CCR5 P51681 1/20 0.51
▸ HTT P42858 2/20 0.51

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
SCHEMBL2354757 0.90 KMT2A (0.58) KMT2AALDH1A1NPSR1MAPTTSHR
SCHEMBL3868593 0.82 TNKS (0.56) KMT2AALDH1A1MAPTTSHRTP53
SCHEMBL2357637 0.81 CYP3A4 (0.61) KMT2AALDH1A1NPSR1TSHRTP53
SCHEMBL3866576 0.80 TSHR (0.55) KMT2AALDH1A1NPSR1MAPTTSHR
SCHEMBL24533634 0.79 TSHR (0.81) KMT2AALDH1A1NPSR1MAPTTSHR
SCHEMBL12024152 0.78 HTT (0.58) KMT2AALDH1A1NPSR1TSHRTP53
SCHEMBL24533663 0.77 USP2 (0.60) KMT2AALDH1A1NPSR1TSHRTP53
SCHEMBL24533635 0.77 CYP3A4 (0.60) KMT2AALDH1A1NPSR1TSHRTP53
SCHEMBL3867745 0.76 CA2 (0.52) KMT2AALDH1A1NPSR1MAPTTSHR
SCHEMBL18568687 0.75 CYP3A4 (0.54) KMT2AALDH1A1NPSR1TSHRTP53

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-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US claimed
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 — — EP claimed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 — — WO claimed
US-8586619-B2 Agents of calcium ion channel modulators VM THERAPEUTICS LLC (US) 2013-11-19 — — US disclosed
US-8586619-B2 Agents of calcium ion channel modulators VM THERAPEUTICS LLC (US) 2013-11-19 — — US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US disclosed
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 — — EP disclosed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 — — WO disclosed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 — — 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-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS CACNA1G, CACNA1C, CACNA1B KMT2A 3399/4885ALDH1A1 4124/4885NPSR1 1021/4885

“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.

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