SCHEMBL1616718

SCHEMBL1616718

O=C(N=C=S)c1ccccc1.[N]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.42
CES2 O00748 5/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
TDP1 Q9NUW8 6/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
CYP3A4 P08684 2/20 0.39
CA4 P22748 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
PARP1 P09874 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL8396 0.98 CES1 (0.44) CES1CES2ALDH1A1TSHRDAO
SCHEMBL24728745 0.98 CES1 (0.44) CES1CES2ALDH1A1TSHRDAO
SCHEMBL23360898 0.96 CES1 (0.42) CES1CES2ALDH1A1TSHRDAO
SCHEMBL23360900 0.94 CA2 (0.41) CES1CES2ALDH1A1TSHRDAO
Acetone SCHEMBL28190449 0.92 CES2 (0.43) CES1CES2ALDH1A1TSHRDAO
Methylene Chloride SCHEMBL28208571 0.90 ALDH1A1 (0.45) CES1CES2ALDH1A1TSHRDAO
Acetonitrile SCHEMBL28134911 0.88 MAPT (0.38) CES1CES2ALDH1A1TSHRDAO
Benzoyl Chloride SCHEMBL8359124 0.88 CES1 (0.37) CES1CES2ALDH1A1TSHRDAO
SCHEMBL484049 0.86 TP53 (0.35) CES1CES2TSHRMAPTLMNA
SCHEMBL3184157 0.86 SMN1; SMN2 (0.48) ALDH1A1MAPTL3MBTL1KDM4EKMT2A

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 CES1 2497/4885CES2 3732/4885ALDH1A1 3574/4885

“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.