Sugi Predict

Sugi Predict / Compounds / SCHEMBL698798

SCHEMBL698798

SCHEMBL698798

O=[C]c1cccc([N+](=O)[O-])c1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.47
▸ GPR35 Q9HC97 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ S100A4 P26447 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ HSPB1 P04792 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ PTPRC P08575 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 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
SCHEMBL16952307 0.83 TDP1 (0.45) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL2875340 0.83 VCAM1 (0.46) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL3010961 0.81 TDP1 (0.61) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL25310 0.79 HSD17B10 (0.50) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
Ammonia Solution, Strong SCHEMBL28763100 0.79 TDP1 (0.58) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL3345170 0.78 TDP1 (0.48) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL55225 0.78 GPR35 (0.55) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL10825048 0.77 TDP1 (0.47) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL5682648 0.77 GPR35 (0.67) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL5222485 0.77 TDP1 (0.47) TDP1GPR35ALDH1A1TSHRSMN1; 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex QUANTUM MEDICAL HOLDINGS, LLC 2010-02-11 — — US claimed
WO-2010016858-A2 MOLECULAR IMAGING PROBES CARESTREAM HEALTH, INC. (US) 2010-02-11 — — WO claimed
EP-2423188-B1 Intermediates in the preparation of agricultural/horticultural insecticides and method for using the same MITSUI CHEMICALS AGRO INC (JP) 2021-03-10 — — EP disclosed
EP-1661886-B1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS AGRO INC (JP) 2016-08-10 — — EP disclosed
WO-2016019588-A1 OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE THE BROAD INSTITUTE, INC. (US) 2016-02-11 — — WO disclosed
CN-102718665-B Insecticide for agricultural or horticultural use prepare intermediate MITSUI CHEMICAL INDUSTRY CO., LTD. (JP) 2015-09-16 — — CN disclosed
CN-104892431-A Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS INC 2015-09-09 — — CN disclosed
US-9101135-B2 Agricultural/horticultural insecticide and method for using the same MITSUI CHEMICALS, INC. (JP) 2015-08-11 — — US disclosed
US-9089133-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2015-07-28 — — US disclosed
CN-102976984-B Preparation intermediate of insecticide for agricultural and horticultural uses MITSUI CHEMICALS INC 2015-04-08 — — CN disclosed
US-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME MITSUI CHEMICALS, INC. (JP) 2014-10-09 — — US disclosed
CN-101684079-A Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS INC 2010-03-31 — — CN disclosed
US-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex QUANTUM MEDICAL HOLDINGS, LLC 2010-02-11 — — US disclosed
WO-2010016858-A2 MOLECULAR IMAGING PROBES CARESTREAM HEALTH, INC. (US) 2010-02-11 — — WO disclosed
CN-100554249-C Agricultural and horticultural insecticide and method of use thereof MITSUI CHEMICALS INC (JP) 2009-10-28 — — CN disclosed
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS., INC. (JP) 2007-02-01 — — US disclosed
CN-1871209-A Agricultural and horticultural insecticide and method of use thereof MITSUI CHEMICALS INC (JP) 2006-11-29 — — CN disclosed
EP-1661886-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-05-31 — — EP disclosed
EP-0116884-B1 NITRO-NAPHTHYLAMINE SULPHONIC ACIDS BAYER AG (DE) 1986-04-09 — — EP disclosed
EP-0116884-A1 Nitro-naphthylamine sulphonic acids BAYER AG (DE) 1984-08-29 — — 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-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME CBR3, ATL3, CNPY2 TDP1 2795/4885GPR35 4668/4885ALDH1A1 1956/4885
US-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex CLTA, COPE, CD68 TDP1 987/4885GPR35 3956/4885ALDH1A1 2203/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 TDP1 2054/4885GPR35 4707/4885ALDH1A1 1149/4885

“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.