Sugi Predict

Sugi Predict / Compounds / SCHEMBL700297

SCHEMBL700297

SCHEMBL700297

Cc1cccc([N+](=O)[O-])c1C=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.59
▸ TDP1 Q9NUW8 4/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ ERN1 O75460 1/20 0.49
▸ KMT2A Q03164 2/20 0.45
▸ GPR35 Q9HC97 1/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MGAM O43451 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ KCNMA1 Q12791 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
SCHEMBL272154 0.86 ERN1 (0.57) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL9453433 0.84 TSHR (0.55) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL18816145 0.79 TDP1 (0.48) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL699676 0.79 TSHR (0.53) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL699677 0.79 TSHR (0.53) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL30978820 0.79 TSHR (0.53) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL8059648 0.79 CYP2A6 (0.53) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL1619153 0.78 ERN1 (0.50) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL22918190 0.78 ERN1 (0.65) TSHRSMN1; SMN2TDP1ALDH1A1ERN1
SCHEMBL31339796 0.78 ERN1 (0.50) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1

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 77 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 disclosed
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 disclosed
CN-115427462-A Fluorescent macromolecules and uses thereof 昆士兰科技大学 2022-12-02 — — CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
CN-106232572-B The manufacturing method of nitro compound 住友化学株式会社 2018-11-13 — — CN disclosed
US-9975844-B2 Method for producing nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-22 — — US disclosed
US-9975844-B2 Method for producing nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-22 — — US disclosed
US-9975844-B2 Method for producing nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-22 — — US disclosed
CN-105481787-B The preparation method of 3 (2 methyl, 6 nitrobenzophenone) 4,5 dihydro-isoxazoles 湖南海利化工股份有限公司 2018-04-20 — — CN disclosed
US-20170129846-A1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-11 — — 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
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
US-5630872-A METAL ALKOXIDES, NITRO COMPOUNDS MITSUBISHI MATERIALS CORPORATION (JP) 1997-05-20 — — US disclosed
CN-1016175-B Imidazoquinoline antithrombin cardiotonic agents BRISTOL MYERS CO (US) 1992-04-08 — — CN disclosed
US-4735956-A Certain 1,4-dihydro-2,6-di-lower hydrocarbyl-4-heterocyclic-3,5-pyridine dicarboxylates which are useful as calcium channel blockers MERCK & CO., INC. (US) 1988-04-05 — — US disclosed
US-4668686-A 1,3-DIHYDRO-2H-IMIDAZO/4,5-B/QUINOLINE-2-ONES BRISTOL-MYERS COMPANY (US) 1987-05-26 — — US disclosed
CN-86102747-A The preparation method of imidazoquinoline antithombogehic cardiotonic agents — 1987-02-04 — — CN 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-20170129846-A1 METHOD FOR PRODUCING NITRO COMPOUND NOX1, NOS1, NOX3 TSHR 413/4885SMN1; SMN2 3073/4885HSD17B10 879/4885

“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.