SCHEMBL6565474

SCHEMBL6565474

CCOC(=O)CSc1nc(Cl)cc(NCCc2ccc(Cl)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.53
CYP3A4 P08684 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 2/20 0.49
PPARG P37231 5/20 0.44
CYP2C9 P11712 1/20 0.44
PTGS2 P35354 1/20 0.44
MAPT P10636 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADORA1 P30542 1/20 0.43
PPARA Q07869 5/20 0.43
RXRA P19793 4/20 0.43
RXRG P48443 4/20 0.43
RXRB P28702 3/20 0.43
PPARD Q03181 3/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 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
SCHEMBL6565637 0.85 CYP1A2 (0.48) ALOX5CYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL6561975 0.83 ALOX5 (0.70) ALOX5CYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL11840409 0.79 ALOX5 (0.59) ALOX5CYP3A4CYP2D6PPARGMAPT
SCHEMBL6563445 0.78 ALOX5 (0.52) ALOX5CYP3A4CYP1A2CYP2C19PPARG
SCHEMBL6563451 0.78 ALOX5 (0.52) ALOX5CYP3A4CYP1A2CYP2C19PPARG
SCHEMBL6827151 0.78 KDM4E (0.58) ALOX5MAPTALDH1A1LMNAKDM4E
SCHEMBL11836472 0.77 KMT2A (0.51) ALOX5MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL6562427 0.76 ALOX5 (0.54) ALOX5CYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL6565628 0.76 PPARA (0.72) ALOX5CYP3A4CYP2D6PPARGMAPT
SCHEMBL6565677 0.76 ALOX5 (0.45) ALOX5CYP3A4CYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALOX5 197/4885CYP3A4 2586/4885CYP1A2 2179/4885
US-20030191144-A1 Compounds, compositions and methods for modulating beta-amyloid production APP, PPARA, PPARG ALOX5 197/4885CYP3A4 2586/4885CYP1A2 2179/4885

“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.