SCHEMBL220779

SCHEMBL220779

O=C(O)c1[c]cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR35 Q9HC97 3/20 0.44
CASP6 P55212 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL9870004 0.84 TDP1 (0.42) TDP1TSHRL3MBTL1GPR35ALDH1A1
SCHEMBL7321325 0.80 ALDH1A1 (0.45) TDP1TSHRMAPTALDH1A1KMT2A
SCHEMBL8011477 0.80 ALDH1A1 (0.43) TDP1TSHRL3MBTL1GPR35ALDH1A1
SCHEMBL10731956 0.76 GPR35 (0.42) TDP1TSHRL3MBTL1GPR35CASP6
SCHEMBL27752933 0.75 FBP1 (0.45) TDP1TSHRL3MBTL1CASP6MAPT
SCHEMBL41322 0.75 GPR35 (0.54) TDP1TSHRL3MBTL1GPR35MAPT
SCHEMBL33832 0.72 TDP1 (0.46) TDP1TSHRL3MBTL1GPR35ALDH1A1
SCHEMBL7136437 0.72 TDP1 (0.46) TDP1TSHRL3MBTL1GPR35ALDH1A1
SCHEMBL9771589 0.72 ALDH1A1 (0.44) MAPTALDH1A1KMT2AGAA
SCHEMBL2075134 0.71 TDP1 (0.45) TDP1TSHRGPR35ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197898-A1 SUBSTITUTED BENZO[5,6][1,4]DIAZEPINO[1,2-a]INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS IMMUNOGEN, INC. 2024-06-20 US claimed
CN-117065043-A Method for preventing oxidation of methionine in immunoconjugates 伊缪诺金公司 2023-11-17 CN claimed
CN-116514903-A Cytotoxic benzodiazepine derivatives 伊缪诺金公司 2023-08-01 CN claimed
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-07-27 US claimed
US-20230094471-A1 CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES IMMUNOGEN, INC. (US) 2023-03-30 US claimed
CN-106604927-B Cytotoxic benzodiazepine derivatives 伊缪诺金公司 2022-08-09 CN claimed
US-20220153713-A1 HYDRAZONE AMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR PREVENTING AND TREATING ALOPECIA SHENZHEN CELL INSPIRE PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2022-05-19 US claimed
US-20220153688-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS SHENZHEN CELL INSPIRE PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2022-05-19 US claimed
EP-3992185-A1 HYDRAZONE AMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR PREVENTING AND TREATING ALOPECIA Shenzhen Cell Inspire Pharmaceutical Development Co., Ltd. (CN) 2022-05-04 EP claimed
EP-3992184-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS Shenzhen Cell Inspire Pharmaceutical Development Co., Ltd. (CN) 2022-05-04 EP claimed
WO-2012112708-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES AND METHODS OF PREPARATION IMMUNOGEN, INC. (US) 2012-08-23 WO claimed
WO-2012061590-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES IMMUNOGEN, INC. (US) 2012-05-10 WO claimed
CN-101282974-A Benzimidazole derivatives as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC (US) 2008-10-08 CN claimed
EP-1910362-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP claimed
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US claimed
WO-2007019345-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO claimed
US-6399292-B2 A MATTING AGENT HAVING A SOFTENING TEMPERATURE OF FROM 100 TO 500 DEGREES C. IS CONTAINED AT LEAST ON ONE SIDE OF THE SUPPORT. FUJI PHOTO FILM CO., LTD. (JP) 2002-06-04 US claimed
US-20020015924-A1 PHOTOTHERMOGRAPHIC PHOTOSENSITIVE MATERIAL AND PHOTOTHEMOGRAPHIIC METHOD FUJIFILM CORPORATION (JP) 2002-02-07 US claimed
EP-0277725-A2 4-Aryl-N-[2-(dialkylamino and heterocyclicamino) alkyl]-1-piperazinecarboxamides and their use as anti allergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-08-10 EP claimed
US-4021245-A GELATION DERIVATIVE, SILICIC ACID ANHYDRIDE FUJI PHOTO FILM CO., LTD. (JA) 1977-05-03 US claimed

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-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRT2, SIRT1, SIRT3 TDP1 613/4885TSHR 3079/4885L3MBTL1 925/4885
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 TDP1 2165/4885TSHR 889/4885L3MBTL1 2374/4885
US-20240197898-A1 SUBSTITUTED BENZO[5,6][1,4]DIAZEPINO[1,2-a]INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS MKI67, GABBR1, GABBR2 TDP1 1612/4885TSHR 879/4885L3MBTL1 3285/4885
US-20230094471-A1 CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES GABBR2, GABRB1, GABRB2 TDP1 1899/4885TSHR 269/4885L3MBTL1 984/4885
US-20220153688-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS SOST, HDAC5, PTH1R TDP1 4527/4885TSHR 1218/4885L3MBTL1 4830/4885
US-20220153713-A1 HYDRAZONE AMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR PREVENTING AND TREATING ALOPECIA FH, HDGF, HRH4 TDP1 4725/4885TSHR 1288/4885L3MBTL1 4876/4885

“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.