SCHEMBL3868593

SCHEMBL3868593

N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.56
▸ TNKS2 Q9H2K2 2/20 0.56
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MAPT P10636 3/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ TP53 P04637 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45

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 0.89 KMT2A (0.58) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL3867743 0.82 KMT2A (0.59) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL2357637 0.81 CYP3A4 (0.61) TNKSTNKS2KMT2AALDH1A1LMNA
SCHEMBL3868598 0.78 ALDH1A1 (0.46) TNKSTNKS2KMT2AALDH1A1LMNA
SCHEMBL12024152 0.77 HTT (0.58) KMT2AALDH1A1LMNAMEN1HPGD
SCHEMBL24533635 0.77 CYP3A4 (0.60) TNKSTNKS2KMT2AALDH1A1LMNA
SCHEMBL18568687 0.75 CYP3A4 (0.54) TNKSTNKS2KMT2AALDH1A1LMNA
SCHEMBL24533663 0.73 USP2 (0.60) KMT2AALDH1A1POLBRXFP1TP53
SCHEMBL24533634 0.72 TSHR (0.81) KMT2AALDH1A1LMNAMEN1POLB
SCHEMBL12549629 0.72 TNKS (1.00) TNKSTNKS2KMT2AALDH1A1LMNA

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 TNKS 1156/4885TNKS2 1020/4885KMT2A 3399/4885

“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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