SCHEMBL3870979

SCHEMBL3870979

O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccccc2Cl)CC1)Nc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ NPSR1 Q6W5P4 3/20 0.58
▸ GAA P10253 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TP53 P04637 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ TSHR P16473 1/20 0.57
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ USP2 O75604 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 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
SCHEMBL3866576 0.85 TSHR (0.55) KMT2AMEN1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL3872757 0.84 TSHR (0.60) KMT2AMEN1ALDH1A1NPSR1GAA
SCHEMBL24533663 0.82 USP2 (0.60) KMT2AALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL3890465 0.79 ALDH1A1 (0.62) ALDH1A1NPSR1GAASMN1; SMN2TP53
SCHEMBL2357637 0.79 CYP3A4 (0.61) KMT2AMEN1ALDH1A1NPSR1TP53
SCHEMBL24533634 0.76 TSHR (0.81) KMT2AMEN1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL24533635 0.74 CYP3A4 (0.60) KMT2AMEN1ALDH1A1NPSR1GAA
SCHEMBL3867743 0.74 KMT2A (0.59) KMT2AMEN1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL2354757 0.73 KMT2A (0.58) KMT2AMEN1ALDH1A1NPSR1GAA
SCHEMBL24533631 0.73 TSHR (0.70) KMT2AMEN1ALDH1A1NPSR1GAA

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 9 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
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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