SCHEMBL302601

SCHEMBL302601

O=[N+]([O-])C(Cl)(Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 6/20 0.42
LMNA P02545 1/20 0.42
FBP1 P09467 4/20 0.41
CYP19A1 P11511 1/20 0.35
KCNN4 O15554 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
CRHBP P24387 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CRHR2 Q13324 1/20 0.33
TLR9 Q9NR96 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL5604300 0.81 TSHR (0.46) TSHRCYP1A2ALDH1A1LMNAFBP1
SCHEMBL10797362 0.81 TSHR (0.46) TSHRCYP1A2ALDH1A1LMNAFBP1
SCHEMBL11689491 0.79 TSHR (0.44) TSHRCYP1A2ALDH1A1LMNAFBP1
SCHEMBL10352664 0.77 PTPN1 (0.43) TSHRCYP1A2ALDH1A1LMNAFBP1
SCHEMBL10949262 0.77 TSHR (0.42) TSHRCYP1A2ALDH1A1LMNAFBP1
SCHEMBL10891703 0.76 CYP1A2 (0.43) TSHRCYP1A2ALDH1A1LMNAFBP1
SCHEMBL114442 0.75 ALDH1A1 (0.46) TSHRCYP1A2ALDH1A1LMNAFBP1
SCHEMBL1194233 0.75 ALDH1A1 (0.46) TSHRCYP1A2ALDH1A1LMNAFBP1
SCHEMBL28383675 0.75 ALDH1A1 (0.46) TSHRCYP1A2ALDH1A1LMNAFBP1
SCHEMBL27625431 0.74 TSHR (0.39) TSHRCYP1A2ALDH1A1LMNAFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008221-B A kind of synthetic method of adjacent nitro benzyl chloride 四川福思达生物技术开发有限责任公司 2019-04-19 CN claimed
CN-106008348-B A kind of method of synthesizing pyrazole kresoxim-methyl intermediate 四川福思达生物技术开发有限责任公司 2019-03-05 CN claimed
CN-106008221-A Synthetic method for o-nitrobenzyl chloride 四川福思达生物技术开发有限责任公司 2016-10-12 CN claimed
CN-106008348-A Method for synthesizing pyraclostrobin intermediate 四川福思达生物技术开发有限责任公司 2016-10-12 CN claimed
CN-105859625-A Synthetic method for preparing pyraclostrobin intermediate from o-nitrobenzyl chloride 四川福思达生物技术开发有限责任公司 2016-08-17 CN claimed
CN-104370747-A Method for synthesizing 3-chloro-4-methylaniline UNIV ZHEJIANG TECHNOLOGY 2015-02-25 CN claimed
JP-2012500848-A 2012-01-12 JP claimed
US-8044214-B2 Process for preparing isoxazole compounds ANGUS CHEMICAL COMPANY (US) 2011-10-25 US claimed
EP-2318381-A1 PROCESS FOR PREPARING ISOXAZOLE COMPOUNDS Dow Global Technologies LLC (US) 2011-05-11 EP claimed
WO-2010025035-A1 PROCESS FOR PREPARING ISOXAZOLE COMPOUNDS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-03-04 WO claimed
US-20100048910-A1 PROCESS FOR PREPARING ISOXAZOLE COMPOUNDS ANGUS CHEMICAL COMPANY 2010-02-25 US claimed
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
US-5026821-A Polymers of citric acid and diamines, a process for their preparation and their uses, in particular as carriers of drugs SANOFI (FR) 1991-06-25 US disclosed
US-4098831-A NITROBENZOTRICHLORIDE OR BROMIDE PROCESS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-07-04 US disclosed
US-4020111-A Propynyloxy alkyl arene insecticides HENNESSY DOUGLAS J 1977-04-26 US disclosed
US-3954793-A INSECTICIDES HENNESSY DOUGLAS J 1976-05-04 US disclosed
US-3760013-A 1-(DICHLORONITROMETHYL)BENZENE DOW CHEMICAL CO 1973-09-18 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-20100048910-A1 PROCESS FOR PREPARING ISOXAZOLE COMPOUNDS CYP11B2, CYP11B1, CYP3A7 TSHR 3112/4885CYP1A2 15/4885ALDH1A1 453/4885

“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.