SCHEMBL3868262

SCHEMBL3868262

CC(C)(C)C(=O)CSc1nc2cc(C(=O)NCc3ccccc3Cl)ccc2c(=O)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPT P10636 4/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 6/20 0.48
▸ TGM2 P21980 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL14428690 0.76 MAPT (0.59) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3870350 0.76 LMNA (0.54) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14010913 0.66 TGM2 (0.75) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16082480 0.66 TP53 (0.81) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL16082491 0.66 TP53 (0.85) KMT2AMEN1MAPTLMNATP53
SCHEMBL3874256 0.65 CYP2C9 (0.57) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10284846 0.64 HDAC6 (0.46) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL6034185 0.64 TGM2 (1.00) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL15768048 0.64 TGM2 (0.76) ALDH1A1TGM2
SCHEMBL15766133 0.63 KDR (0.59) ALDH1A1SMN1; SMN2LMNATGM2TDP1

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 3399/4885MEN1 3058/4885ALDH1A1 4124/4885

“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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