SCHEMBL3851599

SCHEMBL3851599

Cc1ccc(C(=O)NNC(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.68
ALDH1A1 P00352 7/20 0.64
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
CYP2C9 P11712 1/20 0.64
MAPT P10636 1/20 0.63
POLB P06746 3/20 0.59
LMNA P02545 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
GBA1 P04062 1/20 0.56
ATM Q13315 1/20 0.56
MAPK1 P28482 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL7971400 0.92 NPY5R (0.72) NPY5RALDH1A1KMT2AMEN1POLB
SCHEMBL7973349 0.82 NPY5R (0.63) NPY5RALDH1A1KMT2AMEN1POLB
SCHEMBL3851560 0.81 MEN1 (0.80) ALDH1A1KMT2AMEN1CYP2C9MAPT
SCHEMBL7960267 0.81 HDAC3 (0.73) NPY5RKMT2AMEN1POLB
SCHEMBL29877086 0.81 HDAC3 (0.73) NPY5RKMT2AMEN1POLB
SCHEMBL28745571 0.79 NPY5R (0.66) NPY5RALDH1A1KMT2AMEN1LMNA
SCHEMBL3853060 0.79 ALDH1A1 (1.00) NPY5RALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7699912 0.78 NPY5R (0.60) NPY5RALDH1A1KMT2AMEN1POLB
SCHEMBL7700849 0.77 ALDH1A1 (0.72) NPY5RALDH1A1KMT2AMEN1CYP2C9
SCHEMBL3851236 0.77 GBA1 (0.79) NPY5RALDH1A1KMT2AMEN1CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579504-B2 ABCA1 elevating compounds GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-20070203245-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-30 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 (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-20070203245-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP NPY5R 4392/4885ALDH1A1 1804/4885KMT2A 4193/4885

“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.