SCHEMBL1708833

SCHEMBL1708833

CC1NC(=O)c2ccccc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 9/20 0.57
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 6/20 0.55
HSD17B10 Q99714 6/20 0.55
PBRM1 Q86U86 1/20 0.55
HPGD P15428 6/20 0.53
TNKS O95271 2/20 0.51
PARP3 Q9Y6F1 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
PDGFRA P16234 1/20 0.50
FER P16591 1/20 0.50
LTK P29376 1/20 0.50
CDK8 P49336 1/20 0.50
ACVR1 Q04771 1/20 0.50
LRRK2 Q5S007 1/20 0.50

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
SCHEMBL8279432 0.80 CREBBP (0.50) KMT2AGAAMEN1
SCHEMBL30592979 0.78 BRPF1 (0.67) TNKS2ALDH1A1KDM4EHSD17B10PBRM1
SCHEMBL7227738 0.78 BRPF1 (0.67) TNKS2ALDH1A1KDM4EHSD17B10PBRM1
SCHEMBL5063195 0.78 BRPF1 (0.67) TNKS2ALDH1A1KDM4EHSD17B10PBRM1
SCHEMBL20510203 0.76 TNKS2 (0.55) TNKS2ALDH1A1KDM4EHSD17B10PBRM1
SCHEMBL1075473 0.76 TNKS2 (0.55) TNKS2ALDH1A1KDM4EHSD17B10PBRM1
SCHEMBL19465426 0.76 TNKS2 (0.55) TNKS2ALDH1A1KDM4EHSD17B10PBRM1
SCHEMBL30124448 0.74 SMN1; SMN2 (0.48) TNKS2ALDH1A1KDM4EHSD17B10PBRM1
SCHEMBL13847518 0.73 CREBBP (0.55) TNKS2ALDH1A1KDM4EPBRM1TNKS
SCHEMBL8143860 0.72 TNKS2 (0.56) TNKS2ALDH1A1KDM4EHSD17B10PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708454-B2 Acrolein scavenging in PTF and other 1,3-propanediol derived polymers THE COCA-COLA COMPANY (US) 2023-07-25 US disclosed
US-11708454-B2 Acrolein scavenging in PTF and other 1,3-propanediol derived polymers THE COCA-COLA COMPANY (US) 2023-07-25 US disclosed
US-11220589-B2 Method of decreasing aldehyde content in a polymeric material COLORMATRIX HOLDINGS, INC. (US) 2022-01-11 US disclosed
US-11015036-B2 Acetaldehyde scavenger treatment FORD MOTOR COMPANY (US) 2021-05-25 US disclosed
US-20200157311-A1 METHOD OF DECREASING ALDEHYDE CONTENT IN A POLYMERIC MATERIAL COLORMATRIX HOLDINGS, INC. 2020-05-21 US disclosed
US-20200140646-A1 ACETALDEHYDE SCAVENGER TREATMENT FORD MOTOR COMPANY (US) 2020-05-07 US disclosed
US-10557010-B2 Acetaldehyde scavenger treatment FORD MOTOR COMPANY (US) 2020-02-11 US disclosed
US-10557017-B2 Method of decreasing aldehyde content in a polymeric material COLORMATRIX HOLDINGS, INC. (US) 2020-02-11 US disclosed
US-20190330420-A1 ACROLEIN SCAVENGING IN PTF AND OTHER 1,3-PROPANEDIOL DERIVED POLYMERS THE COCA-COLA COMPANY (US) 2019-10-31 US disclosed
US-20170349716-A1 ACETALDEHYDE SCAVENGER TREATMENT FORD MOTOR COMPANY 2017-12-07 US disclosed
US-20170349722-A1 ACETALDEHYDE SCAVENGER TREATMENT FORD MOTOR COMPANY 2017-12-07 US disclosed
US-20170349722-A1 ACETALDEHYDE SCAVENGER TREATMENT FORD MOTOR COMPANY 2017-12-07 US disclosed
US-20170349716-A1 ACETALDEHYDE SCAVENGER TREATMENT FORD MOTOR COMPANY 2017-12-07 US disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-4208343-A STARTING MATERIALS FOR CYANO-IMIDE POLYMERS WESTINGHOUSE ELECTRIC CORP. (US) 1980-06-17 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-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 TNKS2 3895/4885ALDH1A1 2593/4885KDM4E 4132/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 TNKS2 3895/4885ALDH1A1 2593/4885KDM4E 4132/4885

“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.