SCHEMBL188306

SCHEMBL188306

CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
TDP1 Q9NUW8 5/20 0.57
ALDH1A1 P00352 8/20 0.55
GPR35 Q9HC97 2/20 0.55
TSHR P16473 2/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
TXNRD1 Q16881 1/20 0.53
TXNRD3 Q86VQ6 1/20 0.53
TXNRD2 Q9NNW7 1/20 0.53
PDK1 Q15118 1/20 0.53
HTT P42858 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL29638033 1.00 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL395679 0.89 CYP1A2 (0.60) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL27961047 0.88 CYP1A2 (0.68) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL5333075 0.86 CYP1A2 (0.66) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL8887647 0.85 ALDH1A1 (0.68) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL10890268 0.84 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL10891708 0.84 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL7665273 0.84 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL6830861 0.84 GPR35 (0.55) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL7566464 0.83 POLB (0.59) CYP1A2TDP1ALDH1A1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834383-B2 Energetic feedstock for additive manufacturing LYNNTECH, INC. (US) 2023-12-05 US claimed
US-20210276931-A1 Energetic Feedstock for Additive Manufacturing LYNNTECH, INC. 2021-09-09 US claimed
US-20180170821-A1 PROPELLANT GOODRICH CORPORATION (US) 2018-06-21 US claimed
EP-1310487-B1 PROCESSES FOR PREPARATION OF BICYCLIC COMPOUNDS AND INTERMEDIATES THEREFOR DAIICHI SEIYAKU CO (JP) 2007-01-03 EP claimed
US-20050272797-A1 Processes for preparation of bicyclic compounds and intermediates therefor DAIICHI PHARMACEUTICAL CO., LTD. 2005-12-08 US claimed
US-20040019223-A1 Processes for preparation of bicyclic compounds and intermediates therefor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-01-29 US claimed
EP-1321505-A2 Gelled propellant, process for the preparation of a gelled propellant and its use Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2003-06-25 EP claimed
EP-1310487-A1 PROCESSES FOR PREPARATION OF BICYCLIC COMPOUNDS AND INTERMEDIATES THEREFOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-05-14 EP claimed
CN-117924177-A Preparation method of pazopanib intermediate 2, 3-dimethyl-6-amino-2H-indazole and analogues thereof 南京杰运医药科技有限公司 2024-04-26 CN disclosed
US-11834383-B2 Energetic feedstock for additive manufacturing LYNNTECH, INC. (US) 2023-12-05 US disclosed
CN-114539064-A Synthesis method of 4-nitrophenylethane 南通大学 2022-05-27 CN disclosed
CN-113408564-A Graph processing method, network training method, device, equipment and storage medium 腾讯科技(深圳)有限公司 2021-09-17 CN disclosed
US-20210276931-A1 Energetic Feedstock for Additive Manufacturing LYNNTECH, INC. 2021-09-09 US disclosed
US-10717700-B2 Nitration of aromatic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-07-21 US disclosed
US-5856518-A Production process of cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-01-05 US disclosed
WO-1998056807-A1 SOLID PHASE NATIVE CHEMICAL LIGATION OF UNPROTECTED OR N-TERMINAL CYSTEINE PROTECTED PEPTIDES IN AQUEOUS SOLUTION GRYPHON SCIENCES (US) 1998-12-17 WO disclosed
EP-0829473-A1 PROCESSES FOR PREPARING CYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-03-18 EP disclosed
US-5086128-A HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
WO-1991013049-A1 CHEMICAL ALTERATION OF A HYDROPHOBIC SUBSTANCE IN POLYMERIC MICROREGIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1991-09-05 WO disclosed
EP-0345550-A2 High molecular weight arylene sulphide polymers BAYER AG (DE) 1989-12-13 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 (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-10717700-B2 Nitration of aromatic compounds NOS2, NOS1, NOS3 CYP1A2 26/4885TDP1 1210/4885ALDH1A1 315/4885
US-20040019223-A1 Processes for preparation of bicyclic compounds and intermediates therefor DCXR, CYP51A1, WEE1 CYP1A2 523/4885TDP1 2971/4885ALDH1A1 3657/4885
US-20050272797-A1 Processes for preparation of bicyclic compounds and intermediates therefor DCXR, WEE1, CYP51A1 CYP1A2 564/4885TDP1 3157/4885ALDH1A1 3827/4885

“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.