SCHEMBL1788040

SCHEMBL1788040

COc1ccc(CCNC(=O)c2cccnc2SCc2ccnc(N)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.54
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 2/20 0.45
TP53 P04637 1/20 0.45
PDE10A Q9Y233 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.43
MEN1 O00255 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
SCHEMBL1791183 0.88 KMT2A (0.60) EGLN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1786367 0.85 KMT2A (0.52) ALDH1A1KMT2ASMN1; SMN2LMNARXFP1
SCHEMBL4017626 0.83 EGLN1 (0.57) EGLN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL2911170 0.80 KMT2A (0.53) EGLN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1943033 0.79 EGLN1 (0.50) EGLN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1791423 0.79 KDR (0.51) KMT2ASMN1; SMN2LMNATP53
SCHEMBL1943157 0.75 EGLN1 (0.47) EGLN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1787325 0.74 ALDH1A1 (0.60) ALDH1A1KMT2ASMN1; SMN2RXFP1TP53
SCHEMBL1786141 0.73 MAPT (0.54) KMT2ASMN1; SMN2MEN1
SCHEMBL1787875 0.73 KDM4E (0.48) ALDH1A1KMT2ASMN1; SMN2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP claimed
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP disclosed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 EGLN1 2682/4885ALDH1A1 134/4885KMT2A 2247/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 EGLN1 263/4885ALDH1A1 185/4885KMT2A 2098/4885

“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.