SCHEMBL1617015

SCHEMBL1617015

NC(=S)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.62
ALDH1A1 P00352 5/20 0.52
TP53 P04637 1/20 0.52
TYR P14679 1/20 0.52
TSHR P16473 1/20 0.52
TAS2R38 P59533 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 2/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 2/20 0.46
AAK1 Q2M2I8 1/20 0.46
EPHX1 P07099 1/20 0.44

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
SCHEMBL526209 0.87 ALDH1A1 (0.60) KIF11ALDH1A1TP53TYRTSHR
Hydrochloric Acid SCHEMBL31091389 0.85 ALDH1A1 (0.58) KIF11ALDH1A1TP53TYRTSHR
SCHEMBL4630961 0.80 KIF11 (0.63) KIF11ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL725810 0.80 ALDH1A1 (0.75) KIF11ALDH1A1TP53TYRTSHR
SCHEMBL3424950 0.79 ALDH1A1 (0.75) KIF11ALDH1A1TP53TYRTSHR
SCHEMBL5427766 0.77 KIF11 (1.00) KIF11ALDH1A1TP53TYRTSHR
SCHEMBL4516268 0.73 ROCK2 (0.57) GAASMN1; SMN2KMT2APOLBAAK1
SCHEMBL3580237 0.72 MAPT (0.50) KIF11MAPTSMN1; SMN2LMNA
SCHEMBL3728246 0.72 SMN1; SMN2 (0.76) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL20877700 0.72 TAAR1 (0.54) ALDH1A1TP53HSD17B10GAAAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910142-B Modulators for beta-amyloid HOFFMANN LA ROCHE 2013-07-10 CN disclosed
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
CN-101910142-A The conditioning agent of amyloid beta HOFFMANN LA ROCHE 2010-12-08 CN 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 KIF11 4425/4885ALDH1A1 3574/4885TP53 1297/4885

“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.