SCHEMBL1617655

SCHEMBL1617655

CCc1ncc(-c2ccc(N(S)C(N)=O)cc2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
NOTUM Q6P988 2/20 0.40
HDAC1 Q13547 5/20 0.37
HDAC2 Q92769 5/20 0.37
HDAC3 O15379 4/20 0.37
HDAC4 P56524 4/20 0.37
HDAC7 Q8WUI4 4/20 0.37
HDAC10 Q969S8 4/20 0.37
HDAC11 Q96DB2 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC9 Q9UKV0 4/20 0.37
HDAC5 Q9UQL6 4/20 0.37
VCP P55072 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1617573 0.82 CA12 (0.51) HDAC4NPC1RAB9AKDM4EALDH1A1
SCHEMBL1617734 0.74 RAB9A (0.51) RXRARXRBRXRGNOTUMHDAC1
SCHEMBL6629375 0.71 NOTUM (0.45) RXRARXRBRXRGNOTUMHDAC1
SCHEMBL12188072 0.70 NOTUM (0.47) RXRARXRBRXRGNOTUMHDAC1
SCHEMBL7903330 0.70 NOTUM (0.70) RXRARXRBRXRGNOTUMHDAC1
SCHEMBL1617653 0.70 ALDH1A1 (0.45) RXRARXRBRXRGNOTUMHDAC1
SCHEMBL1696557 0.70 NOTUM (0.68) RXRARXRBRXRGNOTUMHDAC1
SCHEMBL725811 0.69 MAPT (0.32) ALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL27343825 0.68 NOTUM (0.45) RXRARXRBRXRGNOTUMHDAC1
SCHEMBL6629373 0.67 NOTUM (0.44) RXRARXRBRXRGNOTUMHDAC1

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
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 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 (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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 RXRA 2253/4885RXRB 1611/4885RXRG 1470/4885

“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.