SCHEMBL94199

SCHEMBL94199

CCOC=C(C(N)=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
PARP1 P09874 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 3/20 0.39
CES2 O00748 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
SCHEMBL94197 1.00 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL30747063 0.86 AKR1C1 (0.48) ALDH1A1L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL18812994 0.86 AKR1C1 (0.48) ALDH1A1L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL6429617 0.83 OGG1 (0.41) ALDH1A1MAPTSMN1; SMN2LMNACYP2C19
SCHEMBL11444976 0.81 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL11444977 0.81 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL19524505 0.78 KMT2A (0.40) ALDH1A1L3MBTL1MAPTTDP1LMNA
SCHEMBL28008327 0.78 LMNA (0.54) ALDH1A1L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL1028536 0.77 MAPT (0.45) ALDH1A1L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL16246414 0.77 MAPT (0.45) ALDH1A1L3MBTL1MAPTTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 EP claimed
WO-2006058012-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-06-01 WO claimed
WO-2021075691-A1 PYRIMIDINE DERIVATIVE, METHOD OF PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME AS EFFECTIVE COMPONENT 한국화학연구원 2021-04-22 WO disclosed
EP-2923703-B1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANTBIO INC (US) 2018-09-19 EP disclosed
EP-2923703-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS Abraxis BioScience, Inc. (US) 2015-09-30 EP disclosed
EP-2425840-B1 Triazine derivatives and their therapeutical applications ABRAXIS BIOSCIENCE INC (US) 2015-04-08 EP disclosed
US-8580786-B2 Triazine derivatives and their therapeutical applications NANT HOLDINGS IP, LLC (US) 2013-11-12 US disclosed
EP-2425840-A1 Triazine derivatives and their therapeutical applications Abraxis BioScience, Inc. (US) 2012-03-07 EP disclosed
US-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2011-06-23 US disclosed
US-7858782-B2 Triazine derivatives and their therapeutical applications ABRAXIS BIOSCIENCE, LLC (US) 2010-12-28 US disclosed
EP-2120964-A2 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS Abraxis BioScience, Inc. (US) 2009-11-25 EP disclosed
US-20080176853-A1 e.g. N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide; protein (tyrosine and serine/threonine) kinase inhibitor; variety of conditions and diseases; antiproliferative, anticarcinogenic, antiinflammatory, antiallergenic agent; autoimmune and neurodegenerative disorders ABRAXIS BIOSCIENCE, INC. (US) 2008-07-24 US disclosed
WO-2008076883-A2 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, INC. (US) 2008-06-26 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-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS BAZ2A, CAMKK2, BAZ1A ALDH1A1 3429/4885L3MBTL1 2903/4885MAPT 1378/4885
US-20080176853-A1 e.g. N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide; protein (tyrosine and serine/threonine) kinase inhibitor; variety of conditions and diseases; antiproliferative, anticarcinogenic, antiinflammatory, antiallergenic agent; autoimmune and neurodegenerative disorders MAP3K15, DSTYK, STK25 ALDH1A1 4099/4885L3MBTL1 1767/4885MAPT 733/4885

“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.