SCHEMBL1269248

SCHEMBL1269248

CCN(CC)CCN=C=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
TRPA1 O75762 9/20 0.38
MIF P14174 6/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP2A13 Q16696 1/20 0.35
EPAS1 Q99814 1/20 0.35
BACH1 O14867 2/20 0.35
MAFK O60675 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
EGFR P00533 1/20 0.34
PTGS2 P35354 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GSK3B P49841 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL988586 0.86 NAAA (0.52) NAAATRPA1MIFBACH1MAFK
SCHEMBL17416121 0.84 TRPA1 (0.42) NAAATRPA1MIFCYP2E1CYP2A6
SCHEMBL12697464 0.82 NAAA (0.35) NAAATRPA1MIFBACH1MAFK
SCHEMBL18912053 0.78
SCHEMBL11726344 0.75 NPSR1 (0.34) NPSR1
SCHEMBL6668505 0.75 NPSR1 (0.31) NPSR1
SCHEMBL20274397 0.74
SCHEMBL1268079 0.74
SCHEMBL7501948 0.73 CYP1A2 (0.39)
SCHEMBL18911837 0.73 NAAA (0.44) NAAATRPA1MIFBACH1MAFK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199636-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same UNIV DREXEL (US) 2024-06-20 US disclosed
EP-3383377-B1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE PROCTER & GAMBLE (US) 2024-04-17 EP disclosed
US-20210040108-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same UNIV DREXEL (US) 2021-02-11 US disclosed
US-10786479-B2 Methods for inhibiting conversion of carnitine to trimethylamine (TMA) THE PROCTER & GAMBLE COMPANY (US) 2020-09-29 US disclosed
US-10780072-B2 Methods for inhibiting conversion of choline to trimethylamine (TMA) THE PROCTER & GAMBLE COMPANY (US) 2020-09-22 US disclosed
US-10738061-B2 Inhibitors of RAD52 recombination protein and methods using same DREXEL UNIVERSITY (US) 2020-08-11 US disclosed
US-10442817-B2 Inhibitors of RAD52 recombination protein and methods using same DREXEL UNIVERSITY (US) 2019-10-15 US disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
EP-3383377-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE The Procter and Gamble Company (US) 2018-10-10 EP disclosed
US-4596798-A Herpes virus THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1986-06-24 US disclosed
US-4554242-A Method for processing color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1985-11-19 US disclosed
US-4493930-A BACTERICIDES, ANTIMALARIA, AND ANTIGONORRHEA AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1985-01-15 US disclosed
US-4447427-A PARTICULARLY GONORRHEA OR MALARIA THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-05-08 US disclosed
US-4401670-A Method for treating gonorrhea infections with 2-acetyl- and 2-propionylpyridine thiosemicarbazones THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1983-08-30 US disclosed
US-4385055-A 2-Acetyl-and 2-propionylpyridine thiosemicarbazones as antimalarials THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1983-05-24 US disclosed
US-4317776-A BACTERICIDES, ANTIMALARIAL, TREATMENT OF GONORRHEA THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1982-03-02 US disclosed
US-4169899-A PENICILLAMINE COMPOUNDS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1979-10-02 US disclosed
US-3991065-A ANTIULCER AGENTS, CHEMICAL INTERMEDIATES JOHN WYETH & BROTHER LIMITED (EN) 1976-11-09 US disclosed
US-3932318-A COPOLYMERS WITH ISOCYANATES, CRYOGENIC POLYMERIZATION, NONFLAMMABLE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-13 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 (6 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-20210040108-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same RAD52, RAD50, MRE11 NAAA 2652/4885TRPA1 4789/4885MIF 2586/4885
US-10738061-B2 Inhibitors of RAD52 recombination protein and methods using same RAD52, RAD50, MRE11 NAAA 2652/4885TRPA1 4789/4885MIF 2586/4885
US-20240199636-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same RAD52, RAD50, MRE11 NAAA 2652/4885TRPA1 4789/4885MIF 2586/4885
US-10780072-B2 Methods for inhibiting conversion of choline to trimethylamine (TMA) HNMT, BHMT, PNMT NAAA 67/4885TRPA1 2682/4885MIF 245/4885
US-10442817-B2 Inhibitors of RAD52 recombination protein and methods using same RAD52, RAD50, MRE11 NAAA 2652/4885TRPA1 4789/4885MIF 2586/4885
US-10786479-B2 Methods for inhibiting conversion of carnitine to trimethylamine (TMA) CRAT, CPT1A, CPT1B NAAA 279/4885TRPA1 1835/4885MIF 914/4885

“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.