SCHEMBL3864775

SCHEMBL3864775

O=[N+]([O-])c1ccc(S(=O)(=O)NCC(O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ CA2 P00918 2/20 0.56
▸ CA12 O43570 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPT P10636 2/20 0.52
▸ TBXAS1 P24557 2/20 0.52
▸ CYP19A1 P11511 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ CA1 P00915 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 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
SCHEMBL13621547 0.86 GAA (0.51) KMT2AMEN1CA2CA12CA9
SCHEMBL12478115 0.86 KMT2A (0.57) KMT2AMEN1CA2CA12CA9
SCHEMBL20193352 0.83 GBA1 (0.73) KMT2AMEN1CA2CA12CA9
SCHEMBL17793719 0.83 KMT2A (0.58) KMT2AMEN1CA2CA12CA9
SCHEMBL10448368 0.81 KMT2A (0.58) KMT2AMEN1CA2CA12CA9
SCHEMBL27166746 0.80 CA2 (0.56) KMT2AMEN1CA2CA12CA9
SCHEMBL27166753 0.80 CA2 (0.56) KMT2AMEN1CA2CA12CA9
SCHEMBL6925091 0.80 CA1 (0.56) KMT2AMEN1CA2CA12ALDH1A1
SCHEMBL13632326 0.79 GBA1 (0.50) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL31450123 0.78 MEN1 (0.63) KMT2AMEN1ALDH1A1MAPTNPC1

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-7622468-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-11-24 — — US disclosed
US-7622468-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-11-24 — — US disclosed
US-7622468-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-11-24 — — US disclosed
EP-1581497-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-03-18 — — EP disclosed
US-20060058327-A1 Kinesin spindle protein inhibitor; antiproliferative agents; anticancer agents; 4-(2,5-difluorophenyl)-N-3-fluoropyrrolidin-3-yl)-2-hydroxymethyl-2-phenyl-2,5-diphdro-1N-pyrrol-1-carboxamide MERCK SHARP & DOHME CORP. 2006-03-16 — — US disclosed
EP-1581497-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-10-05 — — EP disclosed
WO-2004058148-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2004-07-15 — — 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-20060058327-A1 Kinesin spindle protein inhibitor; antiproliferative agents; anticancer agents; 4-(2,5-difluorophenyl)-N-3-fluoropyrrolidin-3-yl)-2-hydroxymethyl-2-phenyl-2,5-diphdro-1N-pyrrol-1-carboxamide KIF5B, KIF2C, KIFC1 KMT2A 771/4885MEN1 3798/4885CA2 3084/4885

“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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