SCHEMBL1247409

SCHEMBL1247409

CC(C)(C)c1ccc2c(c1)C(=O)C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.55
CES1 P23141 5/20 0.55
ALDH1A1 P00352 2/20 0.54
MAOA P21397 7/20 0.50
MAOB P27338 7/20 0.50
CASP3 P42574 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
NPC1 O15118 1/20 0.50
PLA2G1B P04054 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL30541907 1.00 TGM2 (0.55) TGM2CES1ALDH1A1MAOAMAOB
SCHEMBL2788213 0.86 MAOA (0.66) TGM2CES1ALDH1A1MAOAMAOB
SCHEMBL2372316 0.81 CES1 (0.58) TGM2CES1ALDH1A1MAOAMAOB
SCHEMBL30120589 0.81 CES1 (0.58) TGM2CES1ALDH1A1MAOAMAOB
SCHEMBL13401353 0.81 TGM2 (0.55) TGM2CES1ALDH1A1MAOAMAOB
Hydrochloric Acid SCHEMBL11435666 0.80 CES1 (0.57) TGM2CES1ALDH1A1MAOAMAOB
SCHEMBL4202180 0.79 CES1 (0.56) TGM2CES1ALDH1A1MAOAMAOB
SCHEMBL29657257 0.76 ROS1 (0.67) TGM2CES1ALDH1A1MAOAMAOB
SCHEMBL281743 0.76 ROS1 (0.67) TGM2CES1ALDH1A1MAOAMAOB
SCHEMBL4445322 0.76 CES1 (0.53) TGM2CES1ALDH1A1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112180007-A Metabolics-based diagnostic marker for generalized pustular psoriasis and application thereof 上海市皮肤病医院 2021-01-05 CN claimed
US-20230327205-A1 ISATIN DERIVATIVE REDOXAMER FOR ELECTROCHEMICAL DEVICE UCHICAGO ARGONNE, LLC. (US) 2023-10-12 US disclosed
CN-112180007-B Metabonomics-based diagnosis marker for generalized pustular psoriasis and application thereof 上海市皮肤病医院 2023-08-18 CN disclosed
CN-112180007-B Metabonomics-based diagnosis marker for generalized pustular psoriasis and application thereof 上海市皮肤病医院 2023-08-18 CN disclosed
US-11715844-B2 Isatin derivative redoxmer for electrochemical device UCHICAGO ARGONNE, LLC (US) 2023-08-01 US disclosed
US-11312712-B2 Azabenzimidazoles and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-04-26 US disclosed
US-20210284641-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-16 US disclosed
CN-112180007-A Metabolics-based diagnostic marker for generalized pustular psoriasis and application thereof 上海市皮肤病医院 2021-01-05 CN disclosed
CN-112180007-A Metabolics-based diagnostic marker for generalized pustular psoriasis and application thereof 上海市皮肤病医院 2021-01-05 CN disclosed
US-10479765-B2 Substituted N,2-diarylquinoline-4-carboxamides and the use thereof as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-11-19 US disclosed
US-8053442-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053442-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
CN-102015711-A Spiro-indole derivatives for the treatment of parasitic diseases NOVARTIS AG 2011-04-13 CN disclosed
EP-2285808-A1 SPIRO-INDOLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES Novartis AG (CH) 2011-02-23 EP disclosed
WO-2009132921-A1 SPIRO-INDOLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2009-11-05 WO disclosed
WO-2009132921-A1 SPIRO-INDOLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2009-11-05 WO disclosed
US-20090275560-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-05 US disclosed
US-20090275560-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-05 US disclosed
US-20090275560-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-05 US disclosed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 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-20210284641-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A TGM2 2460/4885CES1 2261/4885ALDH1A1 721/4885
US-10479765-B2 Substituted N,2-diarylquinoline-4-carboxamides and the use thereof as anti-inflammatory agents AADAC, NFKBIA, NOD2 TGM2 566/4885CES1 289/4885ALDH1A1 1598/4885
US-20230327205-A1 ISATIN DERIVATIVE REDOXAMER FOR ELECTROCHEMICAL DEVICE NDUFS5, SQOR, NDUFS7 TGM2 3290/4885CES1 4583/4885ALDH1A1 1221/4885
US-20090275560-A1 ORGANIC COMPOUNDS OTC, PC, OAT TGM2 1962/4885CES1 863/4885ALDH1A1 449/4885
US-11312712-B2 Azabenzimidazoles and their use as AMPA receptor modulators GRIN1, GRIN2B, GRIN3A TGM2 2460/4885CES1 2261/4885ALDH1A1 721/4885
US-11715844-B2 Isatin derivative redoxmer for electrochemical device SQOR, SLC39A14, NDUFS5 TGM2 2662/4885CES1 4335/4885ALDH1A1 630/4885

“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.