SCHEMBL5635692

SCHEMBL5635692

Cc1ccc([N+](=O)[O-])c(Cl)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.63
HSD17B10 Q99714 1/20 0.48
TSHR P16473 8/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 1/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
MAPT P10636 2/20 0.44
GPR35 Q9HC97 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL28391943 0.86 TDP1 (0.81) TDP1TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL30904817 0.85 TDP1 (0.55) TDP1HSD17B10TSHRCYP3A4ALDH1A1
SCHEMBL1829700 0.85 TDP1 (0.55) TDP1HSD17B10TSHRCYP3A4ALDH1A1
SCHEMBL768285 0.85 TDP1 (0.54) TDP1HSD17B10TSHRCYP3A4ALDH1A1
SCHEMBL29796095 0.85 TDP1 (0.54) TDP1HSD17B10TSHRCYP3A4ALDH1A1
SCHEMBL28911428 0.83 TSHR (0.55) TDP1HSD17B10TSHRCYP3A4ALDH1A1
SCHEMBL9452617 0.83 TSHR (0.55) TDP1HSD17B10TSHRCYP3A4ALDH1A1
SCHEMBL10485141 0.82 TDP1 (0.52) TDP1HSD17B10TSHRCYP3A4ALDH1A1
SCHEMBL5313608 0.82 TSHR (0.52) TDP1HSD17B10TSHRCYP3A4ALDH1A1
SCHEMBL20942954 0.82 TDP1 (0.47) TDP1HSD17B10TSHRCYP3A4ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117003644-A Novel method for synthesizing 2-chloro-6-nitrotoluene 帕潘纳(北京)科技有限公司 2023-11-07 CN disclosed
CN-112266326-A Preparation method of dichlorotoluene nitride intermediate 杭州臻挚生物科技有限公司 2021-01-26 CN disclosed
US-20210005931-A1 NONAQUEOUS ELECTROLYTE, ENERGY STORAGE DEVICE, AND METHOD FOR PRODUCING ENERGY STORAGE DEVICE GS YUASA INTERNATIONAL LTD. (JP) 2021-01-07 US disclosed
EP-3477758-B1 NONAQUEOUS ELECTROLYTE, POWER STORAGE ELEMENT, AND METHOD FOR PRODUCING POWER STORAGE ELEMENT GS YUASA INT LTD (JP) 2020-12-16 EP disclosed
EP-3477758-A1 NONAQUEOUS ELECTROLYTE, POWER STORAGE ELEMENT, AND METHOD FOR PRODUCING POWER STORAGE ELEMENT GS Yuasa International Ltd. (JP) 2019-05-01 EP disclosed
US-20070054912-A1 Modulators of acetylcholine receptors ASTLES PETER C 2007-03-08 US disclosed
US-20050182088-A1 Modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-08-18 US disclosed
EP-1472248-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-11-03 EP disclosed
WO-2003062235-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 WO disclosed
US-6255542-B1 RING CHLORINATING 4-NITROALKYLBENZENE WITH CHLORINE OR CHLORING-RELEASING AGENT IN A LIQUID PHASE AND IN THE PRESENCE OF A FRIEDEL-CRAFTS CATALYST AND A DIARYL SULFIDE CO-CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2001-07-03 US disclosed
US-5801245-A Process for the preparation of ethyl-N-(2,3 dichloro-6-nitrobenzyl) glycine ROBERTS LABORATORIES INC. (US) 1998-09-01 US disclosed
US-5095157-A Friedel-crafts catalyst BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 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 (2 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-20050182088-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 TDP1 970/4885HSD17B10 1779/4885TSHR 59/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 TDP1 1721/4885HSD17B10 2070/4885TSHR 82/4885

“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.