SCHEMBL3873785

SCHEMBL3873785

CCCCCn1c(SCc2cccc(Cl)c2)nc2cc(C(=O)NCc3ccccc3)ccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ CYP1A2 P05177 3/20 0.63
▸ CYP2D6 P10635 3/20 0.63
▸ CYP2C19 P33261 3/20 0.63
▸ NPSR1 Q6W5P4 2/20 0.63
▸ CYP3A4 P08684 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ TP53 P04637 5/20 0.56
▸ MAPT P10636 3/20 0.56
▸ TSHR P16473 2/20 0.55
▸ RXFP1 Q9HBX9 2/20 0.53
▸ LMNA P02545 3/20 0.53
▸ THRB P10828 2/20 0.52
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL3869026 0.90 CYP2C9 (0.72) CYP2C9ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL14428685 0.82 ALDH1A1 (0.55) CYP2C9ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3874256 0.79 CYP2C9 (0.57) CYP2C9ALDH1A1CYP1A2CYP2C19NPSR1
SCHEMBL3870350 0.73 LMNA (0.54) CYP2C9ALDH1A1CYP1A2CYP2C19NPSR1
SCHEMBL7018117 0.67 TDP1 (0.64) CYP2C9ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL5452055 0.67 ALDH1A1 (0.63) CYP2C9ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3472086 0.66 THRB (0.75) LMNATHRBMEN1KMT2A
SCHEMBL27909695 0.66 NPC1 (0.71) CYP2C9ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL12713406 0.66 LMNA (0.60) CYP2C9ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL10741313 0.66 NPSR1 (0.55) CYP2C9ALDH1A1CYP1A2CYP2C19NPSR1

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 10 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

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 CYP2C9 4804/4885ALDH1A1 4124/4885CYP1A2 4719/4885

“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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