SCHEMBL14645882

SCHEMBL14645882

CCCCCOC(=O)c1cccc(C)c1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.67
CYP3A4 P08684 3/20 0.67
MAPK1 P28482 3/20 0.67
TP53 P04637 1/20 0.67
ALDH1A1 P00352 9/20 0.65
HSD17B10 Q99714 3/20 0.65
KDM4E B2RXH2 3/20 0.65
POLB P06746 1/20 0.65
LMNA P02545 4/20 0.65
L3MBTL1 Q9Y468 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP19A1 P11511 1/20 0.55
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49

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
SCHEMBL28281254 0.99 ALDH1A1 (0.68) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL28280186 0.99 ALDH1A1 (0.68) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL28077184 0.99 ALDH1A1 (0.68) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL14645636 0.99 ALDH1A1 (0.68) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL28280218 0.99 ALDH1A1 (0.68) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL27519835 0.95 ALDH1A1 (0.66) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL15733096 0.92 CYP2D6 (0.59) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL19994754 0.89 ALDH1A1 (0.64) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL15733367 0.88 CYP2D6 (0.67) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL7147146 0.85 ALDH1A1 (0.78) TSHRCYP3A4MAPK1TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415553-B Plasticized thermoset resins and related cured resins, curing methods, and articles comprising cured resins 马萨诸塞大学 2022-08-05 CN claimed
EP-3481899-A1 PLASTICIZED THERMOSET RESIN, AND ASSOCIATED CURED RESIN, METHOD OF CURING, AND ARTICLE COMPRISING CURED RESIN The University of Massachusetts (US) 2019-05-15 EP claimed
CN-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 CN claimed
WO-2018008003-A1 PLASTICIZED THERMOSET RESIN, AND ASSOCIATED CURED RESIN, METHOD OF CURING, AND ARTICLE COMPRISING CURED RESIN THE UNIVERSITY OF MASSACHUSETTS (US) 2018-01-11 WO claimed
EP-3481899-B1 PLASTICIZED THERMOSET RESIN, AND ASSOCIATED CURED RESIN, METHOD OF CURING, AND ARTICLE COMPRISING CURED RESIN UNIV MASSACHUSETTS (US) 2022-12-21 EP disclosed
CN-109415553-B Plasticized thermoset resins and related cured resins, curing methods, and articles comprising cured resins 马萨诸塞大学 2022-08-05 CN disclosed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN disclosed
US-10913844-B2 Plasticized thermoset resin, and associated cured resin, method of curing, and article comprising cured resin THE UNIVERSITY OF MASSACHUSETTS (US) 2021-02-09 US disclosed
US-20190309159-A1 PLASTICIZED THERMOSET RESIN, AND ASSOCIATED CURED RESIN, METHOD OF CURING, AND ARTICLE COMPRISING CURED RESIN THE UNIVERSITY OF MASSACHUSETTS 2019-10-10 US disclosed
EP-3481899-A1 PLASTICIZED THERMOSET RESIN, AND ASSOCIATED CURED RESIN, METHOD OF CURING, AND ARTICLE COMPRISING CURED RESIN The University of Massachusetts (US) 2019-05-15 EP disclosed
CN-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 CN disclosed
CN-103702978-B Process for preparing 2-amino-5-cyano-N, 3-dimethylbenzamide 拜耳知识产权有限责任公司 2018-03-06 CN disclosed
WO-2018008003-A1 PLASTICIZED THERMOSET RESIN, AND ASSOCIATED CURED RESIN, METHOD OF CURING, AND ARTICLE COMPRISING CURED RESIN THE UNIVERSITY OF MASSACHUSETTS (US) 2018-01-11 WO disclosed
EP-2729444-B1 METHOD FOR MANUFACTURING 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE BAYER IP GMBH (DE) 2017-08-23 EP disclosed
US-9169198-B2 Method for the production of 2-amino-5-cyano-N,3-dimethylbenzamide BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-20140148611-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-29 US disclosed
EP-2729444-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE Bayer Intellectual Property GmbH (DE) 2014-05-14 EP disclosed
WO-2013007603-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-17 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 (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-20140148611-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE ALKBH5, ALKBH2, MMAB TSHR 4356/4885CYP3A4 438/4885MAPK1 3361/4885

“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.