SCHEMBL1617653

SCHEMBL1617653

CCc1ncc(-c2ccc(NC(N)=S)cc2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CLK1 P49759 1/20 0.44
GFER P55789 1/20 0.44
NOTUM Q6P988 2/20 0.42
VCP P55072 1/20 0.41
KIF11 P52732 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXRA P19793 2/20 0.38

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
SCHEMBL1617568 0.81 CA12 (0.50) ALDH1A1POLBNPC1RAB9AKIF11
SCHEMBL1617734 0.76 RAB9A (0.51) ALDH1A1NPC1RAB9ANOTUMGAA
SCHEMBL12188072 0.72 NOTUM (0.47) ALDH1A1POLBNPC1RAB9ANOTUM
SCHEMBL7903330 0.72 NOTUM (0.70) ALDH1A1POLBNOTUMVCPHPGD
SCHEMBL1696557 0.72 NOTUM (0.68) ALDH1A1NPC1RAB9ACLK1GFER
SCHEMBL6629373 0.72 NOTUM (0.44) ALDH1A1NPC1RAB9ACLK1GFER
SCHEMBL1617655 0.70 RXRA (0.42) ALDH1A1NPC1RAB9ACLK1GFER
SCHEMBL6629375 0.70 NOTUM (0.45) ALDH1A1NPC1RAB9ANOTUMGAA
SCHEMBL13680705 0.70 ALDH1A1 (0.48) ALDH1A1POLBNPC1RAB9AKIF11
SCHEMBL27343825 0.70 NOTUM (0.45) ALDH1A1NPC1RAB9ACLK1GFER

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 ALDH1A1 3574/4885POLB 2055/4885NPC1 1000/4885

“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.