SCHEMBL588348

SCHEMBL588348

CCc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.63
TSHR P16473 3/20 0.63
TDP1 Q9NUW8 7/20 0.60
ALDH1A1 P00352 5/20 0.60
POLB P06746 3/20 0.60
HTT P42858 2/20 0.60
GAA P10253 2/20 0.58
THRB P10828 1/20 0.58
ALOX15 P16050 1/20 0.53
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
GFER P55789 2/20 0.47
CYP1A2 P05177 1/20 0.46
LMNA P02545 2/20 0.46
S1PR4 O95977 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
APEX1 P27695 1/20 0.45

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
Nitrogen SCHEMBL28276545 0.96 CYP3A4 (0.59) CYP3A4TSHRTDP1ALDH1A1POLB
SCHEMBL1771537 0.89 CYP3A4 (0.56) CYP3A4TSHRTDP1ALDH1A1POLB
SCHEMBL30873107 0.89 CYP3A4 (0.56) CYP3A4TSHRTDP1ALDH1A1POLB
SCHEMBL460989 0.88 HTT (0.66) CYP3A4TSHRTDP1ALDH1A1POLB
SCHEMBL2062178 0.86 CYP3A4 (0.56) CYP3A4TSHRTDP1ALDH1A1POLB
SCHEMBL2566274 0.86 CYP3A4 (0.53) CYP3A4TSHRTDP1ALDH1A1POLB
SCHEMBL12781601 0.85 CYP3A4 (0.55) CYP3A4TSHRTDP1ALDH1A1POLB
SCHEMBL1520431 0.85 GAA (0.59) CYP3A4TSHRTDP1ALDH1A1POLB
SCHEMBL29893629 0.85 GAA (0.59) CYP3A4TSHRTDP1ALDH1A1POLB
SCHEMBL3596469 0.84 CYP3A4 (0.54) CYP3A4TSHRTDP1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430967-A High-dispersity permanent orange RN and preparation method and application thereof 济宁阳光化学有限公司 2024-01-23 CN claimed
CN-109678727-A A kind of method of microchannel nitration reaction synthesis 2- ethyl -5- nitroaniline 深圳市华先医药科技有限公司 2019-04-26 CN claimed
CN-109384725-A A kind of method of microchannel diazo reaction synthesis 3- methyl -6- nitro -1H- indazole 深圳市华先医药科技有限公司 2019-02-26 CN claimed
US-9714254-B2 Anilino podophyllin derivative having antitumor activity, method for preparation thereof, and use thereof HUBEI UNIVERSITY OF TECHNOLOGY (CN) 2017-07-25 US claimed
US-20160289242-A1 ANILINO PODOPHYLLIN DERIVATIVE HAVING ANTITUMOR ACTIVITY, METHOD FOR PREPARATION THEREOF, AND USE THEREOF HUBEI UNIVERSITY OF TECHNOLOGY (CN) 2016-10-06 US claimed
CN-220803176-U Microchannel structure for continuous synthesis reaction 杭州莫洛特化学科技有限公司 2024-04-19 CN disclosed
CN-117430967-A High-dispersity permanent orange RN and preparation method and application thereof 济宁阳光化学有限公司 2024-01-23 CN disclosed
CN-114394935-A Improved preparation method of pazopanib key intermediate 南京亿华药业有限公司 2022-04-26 CN disclosed
CN-114394935-A Improved preparation method of pazopanib key intermediate 南京亿华药业有限公司 2022-04-26 CN disclosed
CN-114230558-A Preparation method of pexaparib hydrochloride impurity 海南鑫开源医药科技有限公司 2022-03-25 CN disclosed
CN-112538073-A Preparation method of pazopanib intermediate 上海天慈中商药业有限公司 2021-03-23 CN disclosed
WO-2020238220-A1 METHOD FOR PREPARING PAZOPANIB HYDROCHLORIDE 济南爱思医药科技有限公司 2020-12-03 WO disclosed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP disclosed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 WO disclosed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0425345-B1 Keratinic fibres dyeing process with amino-indoles, composition and use devices OREAL (FR) 1994-09-14 EP disclosed
US-5254135-A Applying indole dye, developing with oxidizing system L'OREAL (FR) 1993-10-19 US disclosed
CN-1051669-A With the method for amino indole dyeing keratinous fibres, compositions and facilities and equipments OREAL (FR) 1991-05-29 CN disclosed
EP-0002041-A1 Processes for synthesizing bisazomethine-bisazo pigments CIBA-GEIGY AG (CH) 1979-05-30 EP 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-20160289242-A1 ANILINO PODOPHYLLIN DERIVATIVE HAVING ANTITUMOR ACTIVITY, METHOD FOR PREPARATION THEREOF, AND USE THEREOF MLN, DAO, DCPS CYP3A4 106/4885TSHR 4488/4885TDP1 3618/4885

“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.