SCHEMBL10113751

SCHEMBL10113751

Cc1csc(NC(=O)CCCCNS(=O)(=O)C(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
POLB P06746 3/20 0.50
LMNA P02545 2/20 0.50
HDAC6 Q9UBN7 1/20 0.49
NPY5R Q15761 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL10113479 0.83 ALDH1A1 (0.50) ALDH1A1POLBLMNAHDAC6CYP1A2
SCHEMBL10113884 0.82 POLB (0.53) ALDH1A1POLBLMNAHDAC6CYP1A2
SCHEMBL11935072 0.81 NPY5R (0.67) NPY5RNPC1RAB9A
SCHEMBL10113796 0.78 MEN1 (0.55) ALDH1A1LMNAHDAC6NPY5RCYP3A4
SCHEMBL19994399 0.77 SMN1; SMN2 (0.65) ALDH1A1POLBLMNACYP1A2CYP2C19
SCHEMBL7924468 0.77 POLB (0.58) ALDH1A1POLBLMNAHDAC6SMN1; SMN2
SCHEMBL4099160 0.76 PDE5A (0.58) ALDH1A1POLBLMNACYP1A2CYP2C19
SCHEMBL10115197 0.74 ALDH1A1 (0.68) ALDH1A1POLBLMNAHDAC6SMN1; SMN2
SCHEMBL10115440 0.74 GRIA1 (0.47) ALDH1A1LMNAHDAC6NPY5RNPSR1
SCHEMBL1846537 0.73 CYP1A2 (0.68) ALDH1A1POLBLMNACYP1A2CYP2C19

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 ALDH1A1 4558/4885POLB 4727/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885POLB 4751/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885POLB 4721/4885LMNA 1857/4885

“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.