SCHEMBL4745162

SCHEMBL4745162

COC(=O)c1nc2ccc(NC(=O)c3ccccc3-c3ccc(C(C)C)cc3)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 7/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
OPRL1 P41146 1/20 0.45
GPR35 Q9HC97 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
TP53 P04637 4/20 0.44
POLB P06746 4/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL4939695 0.90 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4939709 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4941037 0.81 MTTP (0.56) SMN1; SMN2MAPTGPR35TP53
SCHEMBL4941034 0.81 MTTP (0.56) SMN1; SMN2MAPTGPR35TP53
SCHEMBL4939889 0.77 SMN1; SMN2 (0.52) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL4941076 0.77 TP53 (0.51) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4938961 0.77 MTTP (0.68)
SCHEMBL4938968 0.77 MTTP (0.68)
SCHEMBL14028000 0.73 MTTP (0.52) MAPTGPR35TP53POLBRXFP1
SCHEMBL14027789 0.72 MTTP (0.59) MAPTTP53

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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO 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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 ALDH1A1 983/4885SMN1; SMN2 4591/4885MAPT 2403/4885

“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.