SCHEMBL10113951

SCHEMBL10113951

Cc1cc(=O)oc2cc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)ccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.69
▸ ALDH1A1 P00352 6/20 0.69
▸ SMN1; SMN2 Q16637 4/20 0.69
▸ GAA P10253 3/20 0.69
▸ CA12 O43570 9/20 0.53
▸ CA9 Q16790 9/20 0.53
▸ CA1 P00915 6/20 0.53
▸ HPGD P15428 5/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ LMNA P02545 1/20 0.48

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
SCHEMBL10114635 1.00 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2GAACA12
SCHEMBL10113096 0.87 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2GAACA12
SCHEMBL13203715 0.87 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2GAACA12
SCHEMBL11935351 0.82 CA12 (0.50) KDM4EALDH1A1SMN1; SMN2GAACA12
SCHEMBL11941123 0.82 CA12 (0.50) KDM4EALDH1A1SMN1; SMN2GAACA12
SCHEMBL12882889 0.82 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2GAACA12
SCHEMBL14424129 0.78 MAPT (0.48) KDM4EALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL12881991 0.78 MAPT (0.48) KDM4EALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL10114691 0.77 ALDH1A1 (0.55) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL13204270 0.77 ALDH1A1 (0.55) KDM4EALDH1A1GAAKMT2AMEN1

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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — US 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R KDM4E 1668/4885ALDH1A1 4558/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1627/4885ALDH1A1 4599/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1653/4885ALDH1A1 4517/4885SMN1; SMN2 2251/4885

“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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