SCHEMBL3867636

SCHEMBL3867636

CC(C)(C)c1ccc(CC(C2CCC(C(=O)NCc3ccccc3)CC2)n2c(=O)[nH]c3ccccc3c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL3871091 0.79 KMT2A (0.50) KMT2AL3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3873940 0.74 NPSR1 (0.42) KMT2AL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL11960890 0.72 MAPK10 (0.63) KMT2AALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL11961159 0.70 TSHR (0.61) KMT2AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL11893690 0.68 KMT2A (0.47) KMT2AL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11893691 0.68 KMT2A (0.47) KMT2AL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL15317638 0.67 HDAC6 (0.63) KMT2AALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL26154399 0.67 ALDH1A1 (0.55) KMT2AALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL3869028 0.67 TNKS (0.67) KMT2AHPGDKDM4ELMNATDP1
SCHEMBL25735895 0.66 HDAC6 (0.66) KMT2AALDH1A1HPGDUSP2SMN1; SMN2

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 7 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-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 KMT2A 3399/4885L3MBTL1 3786/4885ALDH1A1 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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