SCHEMBL4645773

SCHEMBL4645773

CC(=O)c1ccc(N(S)C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
MAPT P10636 6/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 4/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MCL1 Q07820 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
HSD17B1 P14061 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
STS P08842 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL725811 0.85 MAPT (0.32) MAPTHPGDL3MBTL1POLBALDH1A1
SCHEMBL6897141 0.82 TSHR (0.50) NPC1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL3566684 0.79 ALOX5 (0.44) RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL5174398 0.79 NOS3 (0.50) NOS3NOS1MAPTRAB9ANPC1
SCHEMBL5635324 0.78 ALDH1A1 (0.41) MAPTRAB9ANPC1MAPK1KDM4E
SCHEMBL4053439 0.77 MAPT (0.44) NOS3NOS1MAPTRAB9ANPC1
SCHEMBL3615251 0.77 ALDH1A1 (0.41) NOS3NOS1MAPTRAB9ANPC1
SCHEMBL3606664 0.77 CA2 (0.40) MAPTRAB9ANPC1KDM4EHPGD
SCHEMBL3647821 0.75 LMNA (0.57) NOS3NOS1MAPTRAB9ANPC1
SCHEMBL320721 0.75 KCNN4 (0.42) NOS3NOS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288398-B2 Antiproliferative pyrimidyl, fused pyrimidyl and pyrimidyl hydrazones MERCK SERONO SA (CH) 2012-10-16 US disclosed
US-20120238575-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones LABORATOIRES SERONO SA (CH) 2008-11-20 US disclosed
EP-1957469-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES Laboratoires Serono SA (CH) 2008-08-20 EP disclosed
WO-2007065940-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES LABORATOIRES SERONO S.A. (CH) 2007-06-14 WO 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-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones TYMP, DHFR, DPYD NOS3 1299/4885NOS1 1222/4885MAPT 4664/4885
US-20120238575-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES TYMP, DHFR, DPYD NOS3 1299/4885NOS1 1222/4885MAPT 4664/4885

“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.