SCHEMBL283513

SCHEMBL283513

C/C=C/C(=O)Nc1ccc(C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 8/20 0.51
▸ MMP2 P08253 8/20 0.51
▸ MMP9 P14780 8/20 0.51
▸ MTNR1A P48039 1/20 0.49
▸ MTNR1B P49286 1/20 0.49
▸ PELI1 Q96FA3 1/20 0.48
▸ NMT1 P30419 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ EGFR P00533 2/20 0.46
▸ DDAH1 O94760 1/20 0.46
▸ LPAR2 Q9HBW0 1/20 0.46
▸ LPAR3 Q9UBY5 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ THRB P10828 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ TDP2 O95551 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL24316662 0.81 ALDH1A1 (0.40) MMP1MMP2MMP9MTNR1AMTNR1B
SCHEMBL26034043 0.81 NMT1 (0.70) MMP1MMP2MMP9MTNR1AMTNR1B
SCHEMBL3200856 0.81 MAPT (0.67) MMP1MMP2MMP9MTNR1AMTNR1B
SCHEMBL6587982 0.81 NMT1 (0.70) MMP1MMP2MMP9MTNR1AMTNR1B
SCHEMBL5175946 0.81 MAPT (0.67) MMP1MMP2MMP9MTNR1AMTNR1B
SCHEMBL20280569 0.79 TGM2 (0.67) MTNR1AMTNR1BNMT1LMNADDAH1
SCHEMBL11835143 0.79 MAPT (0.66) MMP1MMP2MMP9MTNR1AMTNR1B
SCHEMBL29246294 0.79 TGM2 (0.61) MMP1MMP2MMP9MTNR1AMTNR1B
SCHEMBL31501449 0.79 MAPT (0.55) MMP1MMP2MMP9MTNR1AMTNR1B
SCHEMBL27947098 0.79 MAPT (0.55) MMP1MMP2MMP9MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-06 — — US disclosed
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2019-11-14 — — US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 — — US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 — — US disclosed
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 — — US disclosed
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 — — US disclosed
US-7888357-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2011-02-15 — — US disclosed
US-7888357-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2011-02-15 — — US disclosed
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 — — US disclosed
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 — — US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 — — 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 (5 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 MMP1 4769/4885MMP2 4706/4885MMP9 4338/4885
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 MMP1 2987/4885MMP2 1475/4885MMP9 3947/4885
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death CASP2, CASP1, DAPK2 MMP1 1132/4885MMP2 1206/4885MMP9 1654/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 MMP1 4685/4885MMP2 4724/4885MMP9 4102/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 MMP1 2987/4885MMP2 1475/4885MMP9 3947/4885

“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.

Send feedback