Sugi Predict

Sugi Predict / Compounds / SCHEMBL1820951

SCHEMBL1820951

SCHEMBL1820951

Cc1cc(C)c([N+](=O)[O-])c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ TDP1 Q9NUW8 3/20 0.58
▸ TSHR P16473 8/20 0.54
▸ GRIN2D O15399 2/20 0.49
▸ GRIN3B O60391 2/20 0.49
▸ GRIN1 Q05586 2/20 0.49
▸ GRIN2A Q12879 2/20 0.49
▸ GRIN2B Q13224 2/20 0.49
▸ GRIN2C Q14957 2/20 0.49
▸ GRIN3A Q8TCU5 2/20 0.49
▸ GPR35 Q9HC97 1/20 0.48
▸ CYP3A4 P08684 2/20 0.43
▸ ACHE P22303 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HPRT1 P00492 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL9719276 0.86 GPR35 (0.57) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL31538467 0.84 GPR35 (0.50) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL31538466 0.84 GPR35 (0.50) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL646888 0.84 TSHR (0.45) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL11107564 0.84 GPR35 (0.50) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL5849951 0.84 ALDH1A1 (0.47) ALDH1A1TDP1TSHRGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL11137441 0.84 ALDH1A1 (0.44) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL4913846 0.83 TSHR (0.47) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL8440730 0.82 TSHR (0.58) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL28420852 0.81 ALDH1A1 (0.54) ALDH1A1TDP1TSHRGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118558339-A Composite liquid catalyst, preparation method and application thereof in acyl naphthalene synthesis 品恩赢创(苏州)新材料科技有限公司 2024-08-30 — — CN claimed
CN-114409546-A Method for preparing 2-nitro-m-trimethylbenzene by using dynamic tubular reactor and application thereof 内蒙古鼎利科技有限公司 2022-04-29 — — CN claimed
CN-111057594-B Preparation method of alcohol-based fuel additive 李旭 2021-10-29 — — CN claimed
CN-111057594-A Preparation method of alcohol-based fuel additive 李旭 2020-04-24 — — CN claimed
CN-110054566-A The method of mesitylene continuous nitrification production 2,4,6- trimethyl nitrobenzene 淮海工学院 2019-07-26 — — CN claimed
CN-103512946-B A kind of ion mobility spectrometry is by the method for time variant voltage pattern-recognition explosive DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2015-09-23 — — CN claimed
CN-103512946-A Method for identifying explosives by using ion mobility spectrometry through variable voltage mode DALIAN CHEMICAL PHYSICS INST 2014-01-15 — — CN claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 — — US claimed
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 — — CN claimed
US-20080227869-A1 Substituted nitrobenzene derivatives as pharmaceutical and other uses thereof MEN TEWA 2008-09-18 — — US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 — — US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 — — US claimed
EP-1232748-B1 USE OF SUBSTITUTED NITROBENZENE DERIVATIVES FOR THE TREATMENT OF DISEASES CAUSED BY BACTERIA, FUNGI AND VIRUSES MEN TEWA (CN) 2006-05-03 — — EP claimed
US-20050228055-A1 Substituted nitrobenzene derivatives as pharmaceutical and other uses athereof MEN TEWA 2005-10-13 — — US claimed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 — — CN claimed
EP-1232748-A1 SUBSTITUTED NITROBENZENE DERIVATIVES AS MEDICINES AND OTHER USEFUL USES THEREOF Men, Tewa (CN) 2002-08-21 — — EP claimed
US-6110236-A Method of preparing electrodes having evenly distributed component mixtures POLYPLUS BATTERY COMPANY, INC. (US) 2000-08-29 — — US claimed
CN-121949123-A Method for preparing nitro mesitylene by micro-channel nitration reaction 南京理工大学 2026-05-01 — — CN disclosed
EP-0147879-A1 Process for the preparation of a hydroxylamine AKZO N.V. (NL) 1985-07-10 — — EP disclosed
US-3966818-A FROM 2,4,6-TRIMETHYLPHENOL AND OXYGEN TEIJIN LIMITED (JA) 1976-06-29 — — 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 (2 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-20080227869-A1 Substituted nitrobenzene derivatives as pharmaceutical and other uses thereof NOS3, NOS1, PTGS1 ALDH1A1 571/4885TDP1 1154/4885TSHR 3651/4885
US-20050228055-A1 Substituted nitrobenzene derivatives as pharmaceutical and other uses athereof APOB, NDUFB1, CYP2F1 ALDH1A1 700/4885TDP1 1548/4885TSHR 4369/4885

“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.