SCHEMBL1617568

SCHEMBL1617568

Cc1ncc(-c2ccc(NC(N)=S)cc2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA1 P00915 2/20 0.50
ALDH1A1 P00352 5/20 0.48
POLB P06746 2/20 0.48
KIF11 P52732 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HDAC4 P56524 1/20 0.42
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 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
SCHEMBL1617653 0.81 ALDH1A1 (0.45) ALDH1A1POLBKIF11GAAMAPT
SCHEMBL13680705 0.76 ALDH1A1 (0.48) ALDH1A1POLBKIF11GAAMAPT
SCHEMBL1360325 0.73 CA12 (0.62) CA12CA2CA9CA1ALDH1A1
SCHEMBL1617362 0.73 ALDH1A1 (0.48) ALDH1A1POLBKIF11GAAMAPT
SCHEMBL9284900 0.73 CA12 (0.61) CA12CA2CA9CA1ALDH1A1
SCHEMBL5533212 0.72 KMT2A (0.58) ALDH1A1POLBKIF11GAAKMT2A
SCHEMBL1169513 0.70 CA12 (0.57) CA12CA2CA9CA1ALDH1A1
SCHEMBL5586085 0.70 ALOX15 (0.60) CA12CA2CA9CA1ALDH1A1
SCHEMBL7902821 0.70 CA12 (0.57) CA12CA2CA9CA1ALDH1A1
SCHEMBL10263007 0.70 CA12 (0.57) CA12CA2CA9CA1ALDH1A1

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 CA12 4583/4885CA2 3929/4885CA9 4747/4885

“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.