SCHEMBL3140273

SCHEMBL3140273

Cc1c(I)cccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.72
TSHR P16473 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HSD17B10 Q99714 1/20 0.52
POLB P06746 2/20 0.49
GPR35 Q9HC97 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
GLA P06280 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL472112 0.84 TDP1 (1.00) TDP1TSHRSMN1; SMN2HSD17B10POLB
SCHEMBL700469 0.78 TSHR (1.00) TDP1TSHRSMN1; SMN2HSD17B10POLB
SCHEMBL28313474 0.78 TSHR (1.00) TDP1TSHRSMN1; SMN2HSD17B10POLB
SCHEMBL9550119 0.78 TDP1 (0.78) TDP1TSHRSMN1; SMN2HSD17B10POLB
SCHEMBL7531431 0.78 TDP1 (0.54) TDP1TSHRSMN1; SMN2HSD17B10POLB
SCHEMBL29538967 0.78 TSHR (1.00) TDP1TSHRSMN1; SMN2HSD17B10POLB
SCHEMBL10379786 0.78 HSD17B10 (0.54) TDP1TSHRSMN1; SMN2HSD17B10GPR35
SCHEMBL25105 0.78 HSD17B10 (0.54) TDP1TSHRSMN1; SMN2HSD17B10GPR35
SCHEMBL28554564 0.78 HSD17B10 (0.54) TDP1TSHRSMN1; SMN2HSD17B10GPR35
Water SCHEMBL27940548 0.78 TDP1 (0.69) TDP1TSHRSMN1; SMN2HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810001-B Synthesis method of ropinirole hydrochloride intermediate 2-methyl-3-nitrophenylacetic acid 深圳市第二人民医院 2022-04-01 CN claimed
CN-106588788-A Method for synthesizing 1,2,3-triazole compound through one-pot two-step method 河南师范大学 2017-04-26 CN claimed
JP-7233126-A None JP disclosed
WO-2023202625-A1 FGFR2 INHIBITOR AND METHOD FOR USING SAME 深圳福沃药业有限公司 2023-10-26 WO disclosed
CN-116903628-A FGFR2 inhibitors and methods of use 深圳福沃药业有限公司 2023-10-20 CN disclosed
CN-109810001-B Synthesis method of ropinirole hydrochloride intermediate 2-methyl-3-nitrophenylacetic acid 深圳市第二人民医院 2022-04-01 CN disclosed
CN-105849082-B The manufacturing method of nitro compound 住友化学株式会社 2018-07-13 CN disclosed
EP-3088382-B1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-07-11 EP disclosed
CN-106588788-A Method for synthesizing 1,2,3-triazole compound through one-pot two-step method 河南师范大学 2017-04-26 CN disclosed
US-9561998-B2 Method for producing nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 US disclosed
US-20160318846-A1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-11-03 US disclosed
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2010-03-25 US disclosed
CN-101675061-A pyrrolo-N-heterocyclic derivatives, process for their preparation and their use in medicine SHANGHAI HENGRUI PHARM CO LTD 2010-03-17 CN disclosed
EP-2157093-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2010-02-24 EP disclosed
CN-101307052-A Method for preparing pyrrole-N-heterocyclic ring derivates and medical application thereof SHANGHAI HENGRUI PHARM CO LTD (CN) 2008-11-19 CN disclosed
CN-101219955-A Method for synthesizing o-nitrobenzaldehyde compounds SHANGHAI CHEMPARTNER CO LTD (CN) 2008-07-16 CN disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
JP-H07233126-A IODOANILINE DERIVATIVE AND ITS PRODUCTION NISSAN CHEM IND LTD 1995-09-05 JP disclosed
US-5200544-A Acid generator, acid sensitive polymer; photosensitivity AT&T BELL LABORATORIES (US) 1993-04-06 US disclosed
US-5135838-A Resin sensitive to UV radiation and a nitrobenzyl compound that generates an acid AT&T BELL LABORATORIES (US) 1992-08-04 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-20160318846-A1 METHOD FOR PRODUCING NITRO COMPOUND NOS1, NOS3, NOS2 TDP1 3246/4885TSHR 1679/4885SMN1; SMN2 2329/4885
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF MTOR, PKN2, MAP3K15 TDP1 1598/4885TSHR 3388/4885SMN1; SMN2 4172/4885

“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.