SCHEMBL13853552

SCHEMBL13853552

CNC(=O)NCCCOC(C)C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
EPHX2 P34913 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL12783279 0.88 EPHX2 (0.53) ALDH1A1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL26363437 0.84 ALDH1A1 (0.42) ALDH1A1TSHRL3MBTL1HSD17B10EPHX2
SCHEMBL19872989 0.83 ALDH1A1 (0.72) ALDH1A1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL885125 0.80 ALDH1A1 (0.62) ALDH1A1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL8710833 0.80 ALDH1A1 (0.62) ALDH1A1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL17122158 0.79 TSHR (0.56) ALDH1A1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL19808633 0.78 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL12543513 0.78 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL2303769 0.78 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL13853550 0.78 TSHR (0.59) ALDH1A1TSHRSMN1; SMN2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (2 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-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 ALDH1A1 165/4885TSHR 210/4885L3MBTL1 4144/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 ALDH1A1 165/4885TSHR 210/4885L3MBTL1 4144/4885

“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.