SCHEMBL3869026

SCHEMBL3869026

CCCCCn1c(SCC(=O)c2ccccc2)nc2cc(C(=O)NCc3cccc(Cl)c3)ccc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.72
▸ ALDH1A1 P00352 10/20 0.57
▸ TSHR P16473 4/20 0.57
▸ NPSR1 Q6W5P4 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ MAPT P10636 3/20 0.53
▸ TP53 P04637 4/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ LMNA P02545 4/20 0.51
▸ ATM Q13315 1/20 0.51
▸ MAPK10 P53779 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3873785 0.90 CYP2C9 (0.63) CYP2C9ALDH1A1TSHRNPSR1MEN1
SCHEMBL3874256 0.90 CYP2C9 (0.57) CYP2C9ALDH1A1TSHRNPSR1MEN1
SCHEMBL3870350 0.84 LMNA (0.54) CYP2C9ALDH1A1TSHRNPSR1MEN1
SCHEMBL14428685 0.74 ALDH1A1 (0.55) CYP2C9ALDH1A1TSHRNPSR1MEN1
SCHEMBL3876121 0.74 CA2 (0.66) CYP2C9ALDH1A1TSHRNPSR1MEN1
SCHEMBL12791371 0.73 TP53 (0.60) CYP2C9ALDH1A1TSHRNPSR1MEN1
SCHEMBL3461102 0.66 NPC1 (0.70) CYP2C9ALDH1A1TSHRMEN1KMT2A
SCHEMBL3472086 0.66 THRB (0.75) MEN1KMT2ALMNA
SCHEMBL15503867 0.66 USP2 (0.78) CYP2C9ALDH1A1TSHRNPSR1MEN1
SCHEMBL5152197 0.66 TP53 (0.65) CYP2C9ALDH1A1TSHRNPSR1MEN1

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 4124/4885TSHR 2569/4885

“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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