SCHEMBL10115225

SCHEMBL10115225

Cc1cc(N2CC=CC2)ccc1NC(=O)CCCCNS(=O)(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
PSMD14 O00487 1/20 0.40
USP2 O75604 1/20 0.40
MMP2 P08253 1/20 0.40
LMNA P02545 3/20 0.39
CYP2C19 P33261 1/20 0.37
CACNA1G O43497 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14596559 0.87 ALDH1A1 (0.47) ALDH1A1HDAC3HDAC1HDAC6HDAC4
SCHEMBL10115012 0.87 KMT2A (0.45) ALDH1A1HDAC3HDAC1HDAC6HDAC4
SCHEMBL10115367 0.85 HTR1A (0.46) ALDH1A1HDAC3HDAC1HDAC6HDAC4
SCHEMBL11935643 0.84 RAD52 (0.34) PSMD14USP2MMP2HTR1A
SCHEMBL12882430 0.84 KDM4E (0.48) ALDH1A1HDAC6USP2LMNACACNA1G
SCHEMBL12881996 0.83 CCR1 (0.45) HDAC6CACNA1G
SCHEMBL10115083 0.81 HDAC1 (0.46) ALDH1A1HDAC3HDAC1HDAC6HDAC4
SCHEMBL14627726 0.80 HDAC3 (0.45) ALDH1A1HDAC3HDAC1HDAC6HDAC4
SCHEMBL13204528 0.80 KMT2A (0.41) ALDH1A1HDAC3HDAC1HDAC6HDAC4
SCHEMBL10115097 0.80 KMT2A (0.41) ALDH1A1HDAC3HDAC1HDAC6HDAC4

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 4558/4885HDAC3 664/4885HDAC1 1995/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885HDAC3 489/4885HDAC1 1703/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885HDAC3 669/4885HDAC1 2021/4885

“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.