Sugi Predict

Sugi Predict / Compounds / SCHEMBL4687664

SCHEMBL4687664

SCHEMBL4687664

Cc1cccc([N+](=O)[O-])c1C(=O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.73
▸ L3MBTL1 Q9Y468 1/20 0.73
▸ HSD17B10 Q99714 1/20 0.56
▸ TSHR P16473 5/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CES2 O00748 1/20 0.53
▸ CES1 P23141 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ VCAM1 P19320 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KCNMA1 Q12791 1/20 0.46
▸ MAOB P27338 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 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
Acetic Acid SCHEMBL27585017 0.97 TDP1 (0.69) TDP1L3MBTL1HSD17B10TSHRSMN1; SMN2
Formamide SCHEMBL27625247 0.93 TDP1 (0.63) TDP1L3MBTL1HSD17B10TSHRSMN1; SMN2
SCHEMBL28169629 0.91 TDP1 (0.61) TDP1L3MBTL1HSD17B10TSHRSMN1; SMN2
SCHEMBL13983253 0.86 TDP1 (0.62) TDP1L3MBTL1HSD17B10TSHRSMN1; SMN2
SCHEMBL28184015 0.85 TDP1 (0.55) TDP1L3MBTL1HSD17B10TSHRSMN1; SMN2
SCHEMBL33666 0.84 TDP1 (1.00) TDP1L3MBTL1HSD17B10TSHRSMN1; SMN2
SCHEMBL1585523 0.84 TDP1 (1.00) TDP1L3MBTL1HSD17B10TSHRSMN1; SMN2
SCHEMBL329163 0.83 TDP1 (0.63) TDP1L3MBTL1HSD17B10TSHRSMN1; SMN2
SCHEMBL27907798 0.82 CES2 (0.55) TDP1L3MBTL1HSD17B10TSHRSMN1; SMN2
SCHEMBL27907814 0.82 CES2 (0.55) TDP1L3MBTL1HSD17B10TSHRSMN1; SMN2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106496108-B Amides compound with anti-tumor activity and its application 上海应用技术大学 2019-05-31 — — CN claimed
CN-118221566-A Nitrogen hydroxyl compound, preparation method thereof and application thereof in recyclable polyester 中国科学院化学研究所 2024-06-21 — — CN disclosed
CN-109627239-A The inhibitor of fibroblast growth factor acceptor 蓝印药品公司 2019-04-16 — — CN disclosed
CN-104540809-B Inhibitors of fibroblast growth factor receptors 蓝印药品公司 2018-12-11 — — CN disclosed
CN-104326952-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 — — CN disclosed
CN-104277004-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 — — CN disclosed
CN-103180300-B Process for producing pyridazinone compound and intermediate thereof SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-10-07 — — CN disclosed
CN-104326952-A METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO 2015-02-04 — — CN disclosed
CN-104277004-A METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO 2015-01-14 — — CN disclosed
CN-103180300-A Process for producing pyridazinone compound and intermediate thereof SUMITOMO CHEMICAL CO 2013-06-26 — — CN disclosed
EP-0902018-B1 2-(Arylphenyl)amino-imidazoline derivatives HOFFMANN LA ROCHE (CH) 2008-07-23 — — EP disclosed
US-7141584-B2 guanidine derivatives containing phenyl and imidazole rings; useful for treating pain conditions from a wide variety of causes such as cancer, trauma, surgery, inflammation etc. ROCHE PALO ALTO LLC (US) 2006-11-28 — — US disclosed
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2004-06-24 — — US disclosed
US-6693200-B2 IP RECEPTOR ANTAGONISTS; ANTIINFLAMMATORIES AND ANALGESICS SYNTEX (U.S.A.) LLC 2004-02-17 — — US disclosed
US-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors BLEY KEITH ROGER (US) 2003-12-11 — — US disclosed
US-6596876-B2 Prostaglandin I2 inhibitors SYNTEX (U.S.A.) LLC 2003-07-22 — — US disclosed
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2003-02-20 — — US disclosed
US-6472536-B1 SUCH AS 2-(4-(4-CYCLOPENTYLOXYBENZYL)PHENYL)AMINO-IMIDAZOLINE; ANTINOCICEPTIVE AGENTS; IP RECEPTOR ANTAGONISTS; TREATING INFLAMMATORY PAIN SYNTEX (U.S.A.) LLC 2002-10-29 — — US disclosed
US-6184242-B1 2-(substituted-phenyl)amino-imidazoline derivatives SYNTEX USA (LLC) 2001-02-06 — — US disclosed
EP-0902018-A2 2-(Arylphenyl)amino-imidazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 — — 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 (3 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-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors LTB4R2, LTB4R, ALOX5 TDP1 2963/4885L3MBTL1 4289/4885HSD17B10 1406/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R TDP1 3471/4885L3MBTL1 4796/4885HSD17B10 4353/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 TDP1 3302/4885L3MBTL1 4756/4885HSD17B10 4455/4885

“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.