SCHEMBL10114109

SCHEMBL10114109

COC(=O)Cc1csc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ CTPS1 P17812 1/20 0.40

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
SCHEMBL13222358 0.87 MEN1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL13203857 0.86 MEN1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL10113322 0.86 MEN1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL17090351 0.85 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL10113981 0.82 RAB9A (0.61) KMT2ASMN1; SMN2ALDH1A1RAB9ATP53
SCHEMBL10114077 0.73 GRIA2 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1TP53
SCHEMBL10114033 0.73 MEN1 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL10113884 0.72 POLB (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL21044575 0.71 CTPS1 (0.60) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL10114036 0.71 KDM4E (0.40) SMN1; SMN2ALDH1A1RAB9ANPC1HPGD

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 10 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-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 MEN1 2876/4885KMT2A 2912/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2932/4885KMT2A 2768/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2926/4885KMT2A 2953/4885SMN1; 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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