Sugi Predict

Sugi Predict / Compounds / SCHEMBL2230167

SCHEMBL2230167

SCHEMBL2230167

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ TSHR P16473 7/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ HTR1D P28221 1/20 0.38
▸ GRIN2D O15399 1/20 0.37

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
SCHEMBL5693394 0.85 TDP1 (0.38) TDP1ALDH1A1TSHRPOLBHTT
SCHEMBL4915349 0.84 HTT (0.47) TDP1ALDH1A1TSHRPOLBHTT
SCHEMBL4924130 0.80 ALDH1A1 (0.45) TDP1ALDH1A1TSHRHTTMEN1
SCHEMBL5692968 0.79 ALDH1A1 (0.45) TDP1ALDH1A1TSHRPOLBHTT
SCHEMBL19413735 0.78 ALDH1A1 (0.38) TDP1ALDH1A1TSHRHTTHPGD
SCHEMBL16174812 0.78 ALDH1A1 (0.59) TDP1ALDH1A1TSHRPOLBHTT
SCHEMBL26218853 0.78 HTT (0.41) TDP1ALDH1A1TSHRHTTHPGD
SCHEMBL28308139 0.78 TSHR (0.49) TDP1ALDH1A1TSHRHTTMAPT
SCHEMBL1820951 0.78 ALDH1A1 (0.58) TDP1ALDH1A1TSHRLMNAMAPT
SCHEMBL4923093 0.77 TSHR (0.51) TDP1ALDH1A1TSHRHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069587-A Nitrobenzene crystal and application thereof in pharmaceutical composition 齐金 2023-11-17 — — CN claimed
US-20080227869-A1 Substituted nitrobenzene derivatives as pharmaceutical and other uses thereof MEN TEWA 2008-09-18 — — 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-1679521-A Use of substituting nitrobenzene derivative in products preparation MEN TEWA (CN) 2005-10-12 — — CN claimed
CN-1193746-C Substituted nitrobenzene derivatives as pharmaceutical and other beneficial uses NEN TEWA (CN) 2005-03-23 — — CN claimed
EP-1232748-A1 SUBSTITUTED NITROBENZENE DERIVATIVES AS MEDICINES AND OTHER USEFUL USES THEREOF Men, Tewa (CN) 2002-08-21 — — EP claimed
CN-1294911-A Substituted nitrobenzene derivatives as pharmaceutical and other beneficial uses MEN TEWA (CN) 2001-05-16 — — CN claimed
US-4340758-A Nitration process for the preparation of 2,6-dialkylaniline CHEVRON RESEARCH COMPANY (US) 1982-07-20 — — US claimed
CN-117069587-A Nitrobenzene crystal and application thereof in pharmaceutical composition 齐金 2023-11-17 — — CN disclosed
US-20230288804-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-14 — — US disclosed
US-10797259-B2 Organic light-emitting diode with high efficiency SFC CO., LTD. (KR) 2020-10-06 — — US disclosed
US-20180019430-A1 Organic light-emitting diode with high efficiency SFC CO., LTD. (KR) 2018-01-18 — — US disclosed
US-20180019430-A1 Organic light-emitting diode with high efficiency SFC CO., LTD. (KR) 2018-01-18 — — US disclosed
CN-1277956-A Pharmaceutical compound for killing cancer cells and pathogenic bacteria and prepn. method therefor LIU QUANZHI (CN) 2000-12-27 — — CN disclosed
CN-1049124-C Artificial musk serial anti-inflammatory and anticancer compound Chinese patent medicine and making process thereof BEIFANG MEDICINE DEVEL INST ZU (CN) 2000-02-09 — — CN disclosed
EP-0497989-B1 POLLUTION-FREE PROCESS FOR PRODUCING AROMATIC NITRO COMPOUND WITHOUT USING MINERAL ACID NIPPON KAYAKU KK (JP) 1995-10-18 — — EP disclosed
EP-0497989-A1 POLLUTION-FREE PROCESS FOR PRODUCING AROMATIC NITRO COMPOUND WITHOUT USING MINERAL ACID NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-08-12 — — EP disclosed
EP-0492473-A1 Process for the preparation of 4-substituted 2,6-dialkylanilines LONZA AG (CH) 1992-07-01 — — EP disclosed
US-4340758-A Nitration process for the preparation of 2,6-dialkylaniline CHEVRON RESEARCH COMPANY (US) 1982-07-20 — — 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 (4 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 TDP1 1154/4885ALDH1A1 571/4885TSHR 3651/4885
US-20180019430-A1 Organic light-emitting diode with high efficiency CYBA, CYP1A1, CYP1B1 TDP1 1237/4885ALDH1A1 12/4885TSHR 2963/4885
US-20050228055-A1 Substituted nitrobenzene derivatives as pharmaceutical and other uses athereof APOB, NDUFB1, CYP2F1 TDP1 1548/4885ALDH1A1 700/4885TSHR 4369/4885
US-10797259-B2 Organic light-emitting diode with high efficiency CYBA, CYP1A1, CYP1B1 TDP1 1237/4885ALDH1A1 12/4885TSHR 2963/4885

“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.