SCHEMBL6447871

SCHEMBL6447871

COC(=O)C(Cc1c[nH]cn1)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 11/20 0.48
ATM Q13315 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
MAPT P10636 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
SCHEMBL2059178 1.00 SIRT2 (0.48) SIRT2ATMTRPM8L3MBTL1MEN1
Hydrochloric Acid SCHEMBL5574076 0.99 SIRT2 (0.48) SIRT2ATMTRPM8L3MBTL1MEN1
Hydrochloric Acid SCHEMBL28584081 0.99 SIRT2 (0.48) SIRT2ATMTRPM8L3MBTL1MEN1
Hydrochloric Acid SCHEMBL6506712 0.99 SIRT2 (0.48) SIRT2ATMTRPM8L3MBTL1MEN1
SCHEMBL27786110 0.89 MAPT (0.47) TRPM8MEN1KMT2AALDH1A1ITGA4
SCHEMBL1643961 0.87 GAA (0.40) ALDH1A1MAPT
SCHEMBL466340 0.87 GAA (0.40) ALDH1A1MAPT
SCHEMBL466341 0.87 GAA (0.40) ALDH1A1MAPT
SCHEMBL3339240 0.87 ROCK2 (0.39) SIRT2L3MBTL1ITGA4ITGB7MAPT
SCHEMBL10448518 0.86 ALDH1A1 (0.39) SIRT2ATMTRPM8ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257028-A1 Method for selectively binding a substrate to sorbents by way of at least bivalent bonds INSTRACTION GMBH (DE) 2011-10-20 US disclosed
US-20110257028-A1 Method for selectively binding a substrate to sorbents by way of at least bivalent bonds INSTRACTION GMBH (DE) 2011-10-20 US disclosed
EP-1001764-A4 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2005-08-24 EP disclosed
EP-1001764-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-05-24 EP disclosed
WO-1998053814-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO disclosed
WO-1989004835-A1 HUMAN RESPIRATORY SYNCYTIALVIRUS VACCINE DERIVED FROM THE 1A (9.5 kD) PROTEIN THE UPJOHN COMPANY (US) 1989-06-01 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-20110257028-A1 Method for selectively binding a substrate to sorbents by way of at least bivalent bonds SPR, ABCG2, SHBG SIRT2 1820/4885ATM 4670/4885TRPM8 2633/4885

“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.