SCHEMBL3433685

SCHEMBL3433685

O=[N+]([O-])c1cccc2[nH]c3ccccc3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.52
PARP1 P09874 1/20 0.50
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
KMT2A Q03164 2/20 0.49
PTPN11 Q06124 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
NOS1 P29475 1/20 0.47
GABRP O00591 3/20 0.46
GABRD O14764 3/20 0.46
GABRA1 P14867 3/20 0.46
GABRB1 P18505 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46

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
SCHEMBL5142127 0.88 CTSV (0.55) TDP1ALDH1A1PARP1IMPDH2IMPDH1
SCHEMBL25800756 0.87 KMT2A (0.55) TDP1ALDH1A1PARP1IMPDH2IMPDH1
SCHEMBL6007713 0.87 TDP1 (0.52) TDP1ALDH1A1PARP1KMT2ANOS1
SCHEMBL29478497 0.84 MAPT (0.57) TDP1ALDH1A1PARP1KMT2ANOS1
SCHEMBL28907048 0.84 MAPT (0.57) TDP1ALDH1A1PARP1KMT2ANOS1
SCHEMBL11568200 0.81 GRIN2D (0.56) TDP1ALDH1A1PARP1KMT2APTPN11
SCHEMBL6829269 0.80 CTSV (0.47) TDP1PARP1IMPDH2IMPDH1KMT2A
SCHEMBL16919458 0.80 CTSV (0.47) ALDH1A1PARP1IMPDH2IMPDH1KMT2A
SCHEMBL30455197 0.79 PARP1 (0.68) TDP1ALDH1A1PARP1KMT2APTPN11
SCHEMBL1135541 0.79 PARP1 (0.68) TDP1ALDH1A1PARP1KMT2APTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232383-B Method for synthesizing 4-bromocarbazole 河南省科学院高新技术研究中心 2022-02-01 CN claimed
CN-109232380-B Synthetic method of 4-bromocarbazole 新乡市润宇新材料科技有限公司 2021-08-10 CN claimed
CN-109232383-A A method of synthesis 4- bromine carbazole 河南省科学院高新技术研究中心 2019-01-18 CN claimed
CN-109232380-A A kind of synthetic method of 4- bromine carbazole 新乡市润宇新材料科技有限公司 2019-01-18 CN claimed
CN-109232383-B Method for synthesizing 4-bromocarbazole 河南省科学院高新技术研究中心 2022-02-01 CN disclosed
CN-109232383-B Method for synthesizing 4-bromocarbazole 河南省科学院高新技术研究中心 2022-02-01 CN disclosed
CN-111960989-B Preparation method of 4-bromocarbazole 中钢集团南京新材料研究院有限公司 2021-11-02 CN disclosed
CN-109232380-B Synthetic method of 4-bromocarbazole 新乡市润宇新材料科技有限公司 2021-08-10 CN disclosed
CN-109232380-B Synthetic method of 4-bromocarbazole 新乡市润宇新材料科技有限公司 2021-08-10 CN disclosed
CN-111960989-A Preparation method of 4-bromocarbazole 中钢集团南京新材料研究院有限公司 2020-11-20 CN disclosed
CN-108947890-B Method for preparing disubstituted 4-aminocarbazole compound 台州学院 2020-08-04 CN disclosed
CN-109081807-B Method for preparing tri-substituted 4-aminocarbazole and di-substituted 1-aminodibenzo [ b, d ] thiophene compounds 台州学院 2020-08-04 CN disclosed
CN-101044114-A Nitrobenzindoles and their use in cancer therapy AUCKLAND UNISERVICES LTD (NZ) 2007-09-26 CN disclosed
EP-1809603-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2007-07-25 EP disclosed
CN-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 CN disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
US-20060183022-A1 Electrochemical cell NEC TOKIN CORORATION (JP) 2006-08-17 US disclosed
WO-2006043839-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2006-04-27 WO disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (1 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 TDP1 3181/4885ALDH1A1 660/4885PARP1 2050/4885

“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.