SCHEMBL6563800

SCHEMBL6563800

CCOC(=O)CSc1nccc(NCc2ccc(Cl)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 3/20 0.49
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
KDR P35968 5/20 0.47
BRAF P15056 3/20 0.47
CLK4 Q9HAZ1 2/20 0.46
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.45
POLB P06746 1/20 0.45
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
DYRK1A Q13627 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL6565637 0.89 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL11871997 0.80 KDM4E (0.53) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL11863730 0.79 MAPT (0.50) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL11867394 0.78 MAPT (0.52) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL6565640 0.77 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL11838953 0.77 LMNA (0.52) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL6565474 0.74 ALOX5 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL14444482 0.74 NCOA1 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL5469169 0.72 ABCB1 (0.54) MAPTKMT2ANCOA1NCOA3ALDH1A1
SCHEMBL11866541 0.71 MAPT (0.51) MAPTPKMKMT2AALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3940394-A ANTILIPEMIC SANTILLI ARTHUR A 1976-02-24 US claimed
EP-1399426-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING BETA-AMYLOID PRODUCTION Active Pass Pharmaceuticals, Inc. (CA) 2004-03-24 EP disclosed
US-20030191144-A1 Compounds, compositions and methods for modulating beta-amyloid production ACTIVE PASS PHARMACEUTICALS, INC. (CA) 2003-10-09 US disclosed
US-20030125338-A1 Compounds, compositions and methods for modulating beta-amyloid production ACTIVE PASS PHARMACEUTICALS, INC. (CA) 2003-07-03 US disclosed
WO-2002100836-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING BETA-AMYLOID PRODUCTION ACTIVE PASS PHARMACEUTICALS, INC. (CA) 2002-12-19 WO disclosed
US-3951970-A ANTIDEPRESSANT, HYPOTENSIVE SHARPS ASSOCIATES (US) 1976-04-20 US disclosed
US-3940394-A ANTILIPEMIC SANTILLI ARTHUR A 1976-02-24 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 (2 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-20030125338-A1 Compounds, compositions and methods for modulating beta-amyloid production APP, PPARA, PPARG CYP1A2 2179/4885CYP3A4 2586/4885CYP2C9 3692/4885
US-20030191144-A1 Compounds, compositions and methods for modulating beta-amyloid production APP, PPARA, PPARG CYP1A2 2179/4885CYP3A4 2586/4885CYP2C9 3692/4885

“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.