SCHEMBL864500

SCHEMBL864500

Cc1cc([N+](=O)[O-])c(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
MAPK1 P28482 1/20 0.50
CYP3A4 P08684 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.47
VCAM1 P19320 7/20 0.44
PPIA P62937 1/20 0.44
PGK1 P00558 1/20 0.44
HSD17B10 Q99714 1/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL29721556 1.00 TSHR (0.50) TSHRMAPK1CYP3A4ALDH1A1CYP1A2
SCHEMBL1626324 0.91 TSHR (0.50) TSHRMAPK1CYP3A4ALDH1A1CYP1A2
SCHEMBL772624 0.89 CYP1A2 (0.48) TSHRMAPK1CYP3A4ALDH1A1CYP1A2
SCHEMBL3633645 0.89 TSHR (0.52) TSHRMAPK1CYP3A4ALDH1A1CYP1A2
SCHEMBL31592017 0.89 TSHR (0.52) TSHRMAPK1CYP3A4ALDH1A1CYP1A2
SCHEMBL29586844 0.87 PPIA (0.47) TSHRMAPK1CYP3A4ALDH1A1CYP1A2
SCHEMBL80032 0.87 PPIA (0.47) TSHRMAPK1CYP3A4ALDH1A1CYP1A2
SCHEMBL16013560 0.87 TSHR (0.50) TSHRMAPK1CYP3A4ALDH1A1CYP1A2
SCHEMBL359519 0.84 TSHR (0.60) TSHRMAPK1CYP3A4ALDH1A1VCAM1
SCHEMBL5068830 0.83 PPIA (0.47) TSHRMAPK1CYP3A4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656407-B Method for preparing saflufenacil intermediate 帕潘纳(北京)科技有限公司 2023-06-16 CN claimed
CN-112851493-B Preparation method of 2,4, 5-trifluoro phenylacetic acid 台州臻挚生物科技有限公司 2022-09-06 CN claimed
CN-114656407-A Method for preparing saflufenacil intermediate 帕潘纳(北京)科技有限公司 2022-06-24 CN claimed
WO-2022099439-A1 PREPARATION METHOD FOR 2,4,5-TRIFLUOROPHENYLACETIC ACID 杭州臻挚生物科技有限公司 2022-05-19 WO claimed
CN-112851493-A Preparation method of 2,4, 5-trifluorophenylacetic acid 杭州臻挚生物科技有限公司 2021-05-28 CN claimed
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 US claimed
US-5618981-A Process for producing aromatic sulfides PHILLIPS PETROLEUM COMPANY (US) 1997-04-08 US claimed
CN-118271267-A Compound for organic electroluminescent device, application of compound and organic electroluminescent device 北京鼎材科技有限公司 2024-07-02 CN disclosed
CN-114656407-B Method for preparing saflufenacil intermediate 帕潘纳(北京)科技有限公司 2023-06-16 CN disclosed
CN-112851493-B Preparation method of 2,4, 5-trifluoro phenylacetic acid 台州臻挚生物科技有限公司 2022-09-06 CN disclosed
CN-114656407-A Method for preparing saflufenacil intermediate 帕潘纳(北京)科技有限公司 2022-06-24 CN disclosed
WO-2022099439-A1 PREPARATION METHOD FOR 2,4,5-TRIFLUOROPHENYLACETIC ACID 杭州臻挚生物科技有限公司 2022-05-19 WO disclosed
CN-112851493-A Preparation method of 2,4, 5-trifluorophenylacetic acid 杭州臻挚生物科技有限公司 2021-05-28 CN disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
EP-1960389-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-08-27 EP disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 US disclosed
US-5618981-A Process for producing aromatic sulfides PHILLIPS PETROLEUM COMPANY (US) 1997-04-08 US disclosed
US-4846875-A PLANT GROWTH REGULATORS FMC CORPORATION (US) 1989-07-11 US disclosed
US-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 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-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine CHRM1, CHRM2, CHRM5 TSHR 53/4885MAPK1 936/4885CYP3A4 533/4885

“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.