SCHEMBL6565637

SCHEMBL6565637

CCOC(=O)CSc1nccc(NCCc2ccc(Cl)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2D6 P10635 1/20 0.47
KDR P35968 5/20 0.45
BRAF P15056 3/20 0.45
MRGPRX1 Q96LB2 1/20 0.45
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
SLC26A6 Q9BXS9 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6563800 0.89 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19CYP2C9KDR
SCHEMBL6565474 0.85 ALOX5 (0.53) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL6565640 0.76 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19CYP2C9ALOX5
SCHEMBL11838953 0.76 LMNA (0.52) CYP1A2CYP3A4CYP2C19CYP2C9ALOX5
SCHEMBL14444482 0.73 NCOA1 (0.53) CYP1A2CYP3A4CYP2C19CYP2C9PTGS2
SCHEMBL11871997 0.72 KDM4E (0.53) CYP1A2CYP3A4CYP2C19CYP2C9PTGS2
SCHEMBL11863730 0.71 MAPT (0.50) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL5469169 0.71 ABCB1 (0.54) MAPTHTTLMNANCOA1NCOA3
SCHEMBL6561975 0.70 ALOX5 (0.70) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL31141602 0.69 RAB9A (0.52) MAPTSLC26A6ADORA1

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-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-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 2586/4885CYP2C19 3665/4885
US-20030191144-A1 Compounds, compositions and methods for modulating beta-amyloid production APP, PPARA, PPARG CYP1A2 2179/4885CYP3A4 2586/4885CYP2C19 3665/4885

“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.