SCHEMBL2096567

SCHEMBL2096567

COC(=O)Nc1c(C)cccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.59
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52
ATM Q13315 1/20 0.51
MAPT P10636 4/20 0.50
POLB P06746 3/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 1/20 0.49
SCN3A Q9NY46 2/20 0.49
MAPK1 P28482 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 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
SCHEMBL1023162 0.88 HPGD (0.50) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL19781758 0.87 NLRP3 (0.53) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28578207 0.85 NLRP3 (0.46) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2096563 0.83 NLRP3 (0.56) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL19779388 0.82 NLRP3 (0.44) NLRP3ALDH1A1L3MBTL1ATMMAPT
SCHEMBL9359788 0.82 NLRP3 (0.78) NLRP3ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL24574915 0.80 LCK (0.60) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28422693 0.80 NLRP3 (0.53) NLRP3ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30051979 0.79 MAPT (0.67) ALDH1A1L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL4333871 0.79 POLB (0.60) NLRP3ALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079383-A With A Methylating Agent Using A Zinc Halide Catalyst MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-01-07 US claimed
EP-0325620-A1 METHOD FOR THE PREPARATION OF AMIDINO-UREA DERIVATIVES REANAL FINOMVEGYSZERGYAR (HU) 1989-08-02 EP claimed
WO-1988007990-A1 METHOD FOR THE PREPARATION OF AMIDINO-UREA DERIVATIVES REANAL FINOMVEGYSZERGYÁR (HU) 1988-10-20 WO claimed
US-10316008-B2 KCNQ potassium channel agonist, and preparation method therefor and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-06-11 US disclosed
US-20180134677-A1 NOVEL KCNQ POTASSIUM CHANNEL AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-05-17 US disclosed
US-20180134677-A1 NOVEL KCNQ POTASSIUM CHANNEL AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-05-17 US disclosed
US-20170081301-A1 NOVEL KCNQ POTASSIUM CHANNEL AGONISTS, METHOD OF PREPARATION AND METHOD OF USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-03-23 US disclosed
US-20170081301-A1 NOVEL KCNQ POTASSIUM CHANNEL AGONISTS, METHOD OF PREPARATION AND METHOD OF USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-03-23 US disclosed
EP-3138833-A1 NOVEL KCNQ POTASSIUM CHANNEL AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2017-03-08 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
WO-1988007990-A1 METHOD FOR THE PREPARATION OF AMIDINO-UREA DERIVATIVES REANAL FINOMVEGYSZERGYÁR (HU) 1988-10-20 WO disclosed
EP-0110732-B1 PROCESS FOR PRODUCING DIPHENYLMETHANE DICARBAMATES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-03-11 EP disclosed
EP-0123412-B1 METHOD FOR MANUFACTURE OF DIPHENYLMETHANE DIISOCYANATES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-07-09 EP disclosed
US-4552974-A Process for producing diphenylmethane dicarbamates ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-11-12 US disclosed
US-4547322-A Method for manufacture of diphenylmethane diisocyanates ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-10-15 US disclosed
EP-0123412-A1 Method for manufacture of diphenylmethane diisocyanates Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-31 EP disclosed
EP-0110732-A2 Process for producing diphenylmethane dicarbamates Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-06-13 EP disclosed
US-4328354-A Preparation of methylene-bis-phenylcarbamic acid esters and polymethylene-polyphenylcarbamic acid esters BASF AKTIENGESELLSCHAFT (DE) 1982-05-04 US disclosed
US-4282370-A Preparation of methylene-bis-phenylcarbamic acid esters and of polymethylene-polyphenylcarbamic acid esters BASF AKTIENGESELLSCHAFT (DE) 1981-08-04 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 (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-20180134677-A1 NOVEL KCNQ POTASSIUM CHANNEL AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF KCNQ5, KCNQ4, KCNQ1 NLRP3 726/4885ALDH1A1 2001/4885L3MBTL1 3644/4885
US-10316008-B2 KCNQ potassium channel agonist, and preparation method therefor and use thereof KCNQ5, KCNQ4, KCNQ3 NLRP3 740/4885ALDH1A1 1958/4885L3MBTL1 3631/4885
US-20170081301-A1 NOVEL KCNQ POTASSIUM CHANNEL AGONISTS, METHOD OF PREPARATION AND METHOD OF USE THEREOF KCNQ5, KCNQ4, KCNQ3 NLRP3 963/4885ALDH1A1 1690/4885L3MBTL1 3810/4885

“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.