SCHEMBL42635

SCHEMBL42635

CCCCN(CCCC)C([NH])=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.56
CA9 Q16790 5/20 0.56
CA1 P00915 4/20 0.56
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP8 P22894 1/20 0.52
ALDH1A1 P00352 3/20 0.44
ALDH2 P05091 1/20 0.44
CA2 P00918 3/20 0.41
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
TSHR P16473 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35

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
SCHEMBL292930 0.95 CA12 (0.52) CA12CA9CA1MMP1MMP2
SCHEMBL293959 0.92 CA12 (0.48) CA12CA9CA1MMP1MMP2
SCHEMBL3842358 0.90 CA12 (0.50) CA12CA9CA1MMP1MMP2
SCHEMBL4809167 0.90 CA12 (0.50) CA12CA9CA1MMP1MMP2
SCHEMBL2547203 0.90 CA12 (0.50) CA12CA9CA1MMP1MMP2
SCHEMBL292339 0.90 CA12 (0.50) CA12CA9CA1MMP1MMP2
SCHEMBL293117 0.90 CA12 (0.59) CA12CA9CA1MMP1MMP2
SCHEMBL42387 0.83 CA12 (0.52) CA12CA9CA1MMP1MMP2
SCHEMBL2197366 0.80 CA1 (0.41) CA12CA9CA1MMP1MMP2
SCHEMBL9871116 0.78 CA12 (0.61) CA12CA9CA1MMP1MMP2

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 274 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530537-B1 Condensed pyrimidine derivatives, their production and use as antitumor agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-01-08 EP claimed
US-5403843-A Pyrrolopyrimidinyalglutaminate derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-04 US claimed
US-9346822-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-20160032125-A1 INK SET SEIKO EPSON CORPORATION (JP) 2016-02-04 US disclosed
EP-2977414-A1 INK SET Seiko Epson Corporation (JP) 2016-01-27 EP disclosed
US-20150329540-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2015-11-19 US disclosed
EP-2450335-B1 METHOD FOR SYNTHESIZING COMPOUND AND CATALYST FOR SYNTHESIS REACTION HOKKO CHEM IND CO (JP) 2015-03-25 EP disclosed
US-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2014-12-11 US disclosed
EP-2589631-B1 INK COMPOSITION, INKJET RECORDING METHOD AND COLORED BODY NIPPON KAYAKU KK (JP) 2014-08-20 EP disclosed
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-07 US disclosed
US-8790458-B2 Ink set and droplet ejection apparatus using the ink set SEIKO EPSON CORPORATION (JP) 2014-07-29 US disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed
US-5024923-A Sulfur-containing metal complex FUJI PHOTO FILM CO., LTD. (JP) 1991-06-18 US disclosed
EP-0400562-A1 Pyrrolopyrimidines, their production and use as tumoricidal agents Takeda Chemical Industries, Ltd. (JP) 1990-12-05 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed
US-4729992-A Cephalosporin esters, their production and use TATSUO CHEMICAL IND., LTD. (JP) 1988-03-08 US disclosed
US-4698339-A BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-10-06 US disclosed
EP-0159899-A2 Cephalosporin esters, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-30 EP disclosed
EP-0137403-A2 Carbapenems, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-04-17 EP 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 (3 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-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA CA12 3903/4885CA9 2569/4885CA1 4289/4885
US-20150329540-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 CA12 2848/4885CA9 862/4885CA1 3076/4885
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 CA12 2136/4885CA9 1133/4885CA1 1393/4885

“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.