SCHEMBL699677

SCHEMBL699677

Cc1cccc([N+](=O)[O-])c1C=NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
GPR35 Q9HC97 2/20 0.44
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX12 P18054 1/20 0.41
ERN1 O75460 1/20 0.40
KCNMA1 Q12791 1/20 0.40
HPGD P15428 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40

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
SCHEMBL30978820 1.00 TSHR (0.53) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL699676 1.00 TSHR (0.53) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL29196783 0.88 GPR35 (0.52) TSHRSMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL701357 0.80 MEN1 (0.49) SMN1; SMN2TDP1L3MBTL1ALDH1A1MEN1
SCHEMBL701358 0.80 MEN1 (0.49) SMN1; SMN2TDP1L3MBTL1ALDH1A1MEN1
SCHEMBL28912642 0.80 TSHR (0.49) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL700297 0.79 TSHR (0.60) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL5803088 0.78 HPGD (0.46) TSHRSMN1; SMN2HSD17B10ALDH1A1MEN1
SCHEMBL5803087 0.78 HPGD (0.46) TSHRSMN1; SMN2HSD17B10ALDH1A1MEN1
SCHEMBL9453433 0.75 TSHR (0.55) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115784925-B Continuous preparation method of 2-methyl-6-nitrobenzaldehyde oxime 江苏七洲绿色科技研究院有限公司 2024-07-02 CN claimed
CN-113717120-B Preparation method of 3- (2-methyl-6-nitrophenyl) -4, 5-dihydro-isoxazole 湖南海利常德农药化工有限公司 2023-06-27 CN claimed
CN-115784925-A Continuous preparation method of 2-methyl-6-nitrobenzaldehyde oxime 江苏七洲绿色科技研究院有限公司 2023-03-14 CN claimed
CN-114163352-B Preparation method of 2-methyl-6-nitrobenzaldehyde oxime 江苏七洲绿色科技研究院有限公司 2022-06-10 CN claimed
CN-114163352-A Preparation method of 2-methyl-6-nitrobenzaldehyde oxime 江苏七洲绿色科技研究院有限公司 2022-03-11 CN claimed
CN-113717120-A Preparation method of 3- (2-methyl-6-nitrophenyl) -4, 5-dihydroisoxazole 湖南海利常德农药化工有限公司 2021-11-30 CN claimed
CN-118788251-B Method for preparing 3- [ 3-bromo-2-methyl-6- (methylsulfonyl) phenyl ] -4, 5-dihydroisoxazole 苏州开元民生科技股份有限公司 2025-02-07 CN disclosed
CN-118894789-A Method for continuously synthesizing alpha-chloro oxime 苏利(宁夏)新材料科技有限公司 2024-11-05 CN disclosed
CN-118788251-A Method for preparing 3- [ 3-bromo-2-methyl-6- (methylsulfonyl) phenyl ] -4, 5-dihydroisoxazole 苏州开元民生科技股份有限公司 2024-10-18 CN disclosed
CN-115784925-B Continuous preparation method of 2-methyl-6-nitrobenzaldehyde oxime 江苏七洲绿色科技研究院有限公司 2024-07-02 CN disclosed
CN-115784925-B Continuous preparation method of 2-methyl-6-nitrobenzaldehyde oxime 江苏七洲绿色科技研究院有限公司 2024-07-02 CN disclosed
CN-115784925-B Continuous preparation method of 2-methyl-6-nitrobenzaldehyde oxime 江苏七洲绿色科技研究院有限公司 2024-07-02 CN disclosed
CN-113717120-B Preparation method of 3- (2-methyl-6-nitrophenyl) -4, 5-dihydro-isoxazole 湖南海利常德农药化工有限公司 2023-06-27 CN disclosed
US-20030018200-A1 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2003-01-23 US disclosed
US-6469176-B1 CROP PROTECTION COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-10-22 US disclosed
EP-1129082-A1 METHOD AND NOVEL INTERMEDIATE PRODUCTS FOR PRODUCING ISOXAZOLIN-3-YL-ACYLBENZENES BASF AKTIENGESELLSCHAFT (DE) 2001-09-05 EP disclosed
CN-1300284-A Preparation of isoxazolin-3-yl-acylbenzenes BASF AG (DE) 2001-06-20 CN disclosed
EP-1077955-A1 METHOD FOR PRODUCING ISOXAZOLINE-3-YL-ACYL BENZENE BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 EP disclosed
WO-2000029394-A1 METHOD AND NOVEL INTERMEDIATE PRODUCTS FOR PRODUCING ISOXAZOLIN-3-YL-ACYLBENZENES BASF AKTIENGESELLSCHAFT (DE) 2000-05-25 WO disclosed
WO-1999058509-A1 METHOD FOR PRODUCING ISOXAZOLINE-3-YL-ACYL BENZENE BASF AKTIENGESELLSCHAFT (DE) 1999-11-18 WO 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-20030018200-A1 Preparation of isoxazolin-3-ylacylbenzenes CYP2F1, UQCRB, CYP1B1 TSHR 588/4885SMN1; SMN2 4220/4885HSD17B10 383/4885

“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.