SCHEMBL3871091

SCHEMBL3871091

O=C(NCCc1ccccc1)C1CCC(C(Cc2ccc([N+](=O)[O-])cc2)n2c(=O)[nH]c3ccccc3c2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.50
▸ TAAR1 Q96RJ0 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ POLB P06746 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RXFP1 Q9HBX9 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3873940 0.81 NPSR1 (0.42) KMT2APOLBNPSR1MEN1ALDH1A1
SCHEMBL3867636 0.79 KMT2A (0.44) KMT2APKMNPSR1MEN1ALDH1A1
SCHEMBL8107971 0.74 ALDH1A1 (0.44) KMT2ANPSR1MEN1ALDH1A1L3MBTL1
SCHEMBL6520217 0.69 KMT2A (0.71) KMT2ATAAR1PKMPOLBMEN1
SCHEMBL23417495 0.66 CYP2C19 (0.68) KMT2ATAAR1POLBMEN1ALDH1A1
SCHEMBL11960890 0.65 MAPK10 (0.63) KMT2APOLBNPSR1MEN1ALDH1A1
SCHEMBL11893691 0.64 KMT2A (0.47) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL11893690 0.64 KMT2A (0.47) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL18830580 0.63 MMP2 (0.65) KMT2ATAAR1MEN1ALDH1A1MAPT
SCHEMBL7272444 0.63 TAAR1 (0.64) KMT2ATAAR1POLBNPSR1MEN1

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 3399/4885TAAR1 1887/4885PKM 4291/4885

“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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