SCHEMBL3868831

SCHEMBL3868831

Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CCCn2c(SCC(=O)NCc3ccc(C)cc3)nc3ccccc3c2=O)cc1

nearest known ligand 0.91

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.91
▸ CYP3A4 P08684 4/20 0.78
▸ CYP2D6 P10635 3/20 0.78
▸ CYP2C9 P11712 3/20 0.78
▸ CYP2C19 P33261 3/20 0.78
▸ CYP1A2 P05177 2/20 0.78
▸ NPSR1 Q6W5P4 2/20 0.66
▸ POLB P06746 2/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ TP53 P04637 2/20 0.65
▸ LMNA P02545 2/20 0.63
▸ CCR5 P51681 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ GLA P06280 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ HTT P42858 1/20 0.61

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
SCHEMBL16844168 0.80 KMT2A (0.73) GAANPSR1ALDH1A1TP53LMNA
SCHEMBL2722164 0.77 POLB (0.82) GAACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20614872 0.76 SMN1; SMN2 (0.87) GAANPSR1POLBALDH1A1LMNA
SCHEMBL25482005 0.76 TDP1 (0.70) GAACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2723919 0.74 TP53 (0.73) GAANPSR1ALDH1A1TP53LMNA
SCHEMBL2722805 0.74 ALDH1A1 (0.70) GAACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL25482090 0.74 ALDH1A1 (0.74) GAANPSR1ALDH1A1LMNAKDM4E
SCHEMBL10289177 0.73 MAPT (0.62) GAACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2723282 0.73 MAPT (1.00) GAACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL10289179 0.73 KMT2A (0.74) GAANPSR1ALDH1A1TP53LMNA

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 GAA 2151/4885CYP3A4 4561/4885CYP2D6 4677/4885

“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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