Sugi Predict

Sugi Predict / Compounds / SCHEMBL9719281

SCHEMBL9719281

SCHEMBL9719281

Cc1c([N+](=O)[O-])ccc([N+](=O)[O-])c1C

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.71
▸ TSHR P16473 8/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ CYP3A4 P08684 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.54
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP1A2 P05177 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ ATM Q13315 1/20 0.44

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
SCHEMBL30503599 1.00 TDP1 (0.71) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10
SCHEMBL3192674 0.90 TSHR (0.65) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10
SCHEMBL7355587 0.88 TDP1 (0.58) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10
SCHEMBL1683191 0.86 TSHR (0.57) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10
SCHEMBL29788829 0.86 TDP1 (0.56) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10
SCHEMBL1424697 0.86 TDP1 (0.56) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10
SCHEMBL29727839 0.86 TDP1 (0.56) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10
SCHEMBL4864448 0.86 TDP1 (0.57) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10
SCHEMBL17768877 0.86 TDP1 (0.56) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10
SCHEMBL1896801 0.86 TDP1 (0.56) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374214-A1 Mixed Aromatic Amine Monomers And Polymers Thereof ExxonMobil Technology and Engineering Company (US) 2023-11-23 — — US disclosed
US-20230374214-A1 Mixed Aromatic Amine Monomers And Polymers Thereof ExxonMobil Technology and Engineering Company (US) 2023-11-23 — — US disclosed
CN-116323548-A Mixed aromatic amine monomers and polymers thereof 埃克森美孚技术与工程公司 2023-06-23 — — CN disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 — — US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 — — US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 — — US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 — — US disclosed
US-5138098-A Catalytic actlation using complexing agent AMOCO CORPORATION (US) 1992-08-11 — — US disclosed
EP-0129759-B1 METHOD FOR THE PRODUCTION OF URETHANES BAYER AG (DE) 1987-05-06 — — EP disclosed
US-4593116-A Reacting an organic nitro compound with a compound containing at least one hydroxy group in presence of carbon monoxide, hydrogen and catalyst system BAYER AKTIENGESELLSCHAFT (DE) 1986-06-03 — — US disclosed
US-4304922-A REDOX SYSTEMS COMPRISING A UREA, AN ALCOHOL, CARBON MONOXIDE, OXYGEN, A REDUCIBLE METAL SALT, AND A CATALYTIC GROUP 8 METAL SALT BAYER AKTIENGESELLSCHAFT (DE) 1981-12-08 — — US disclosed
US-4297501-A BY REACTING PRIMARY AMINES, CARBON MONOXIDE AND AN ORGANIC ALCOHOL IN THE PRESENCE OF OXYGEN AND A METAL CATALYST SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1981-10-27 — — US disclosed
EP-0016949-B1 PROCESS FOR PREPARING URETHANES BAYER AG (DE) 1981-10-14 — — EP disclosed
EP-0035752-A1 Process for the preparation of urethanes BAYER AG (DE) 1981-09-16 — — EP disclosed
US-4262130-A Process for the production of urethanes BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 — — US disclosed
EP-0005226-B1 PROCESS FOR THE MANUFACTURE OF URETHANES BAYER AG (DE) 1980-11-12 — — EP disclosed
EP-0016949-A1 Process for preparing urethanes BAYER AG (DE) 1980-10-15 — — EP disclosed
EP-0016346-A1 Process for preparing urethanes BAYER AG (DE) 1980-10-01 — — EP disclosed
US-4219661-A FROM THE NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1980-08-26 — — US disclosed
EP-0005226-A1 Process for the manufacture of urethanes BAYER AG (DE) 1979-11-14 — — EP 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-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 TDP1 1950/4885TSHR 4737/4885SMN1; SMN2 3546/4885

“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.