Sugi Predict

Sugi Predict / Compounds / SCHEMBL697848

SCHEMBL697848

SCHEMBL697848

O=[C]c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ VCAM1 P19320 3/20 0.55
▸ LMNA P02545 6/20 0.46
▸ HTT P42858 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ GAA P10253 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL2426169 0.86 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1LMNAHTT
SCHEMBL2372334 0.83 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNAHTT
SCHEMBL352298 0.83 VCAM1 (0.64) ALDH1A1HIF1AVCAM1MAPTMEN1
SCHEMBL16958110 0.83 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNAHTT
SCHEMBL2483754 0.82 TSHR (0.52) ALDH1A1HIF1AVCAM1LMNAHTT
SCHEMBL7734099 0.78 VCAM1 (0.44) ALDH1A1VCAM1MAPTMEN1KMT2A
SCHEMBL7151564 0.77 MAPK1 (0.58) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL5163347 0.77 TSHR (0.56) ALDH1A1VCAM1LMNAHTTMAPT
SCHEMBL698857 0.77 VCAM1 (0.71) VCAM1LMNAHTTMAPTMEN1
SCHEMBL27799226 0.77 MAPT (0.60) ALDH1A1VCAM1LMNAMAPTMEN1

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 124 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
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
US-8816128-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2014-08-26 — — US disclosed
EP-0181293-A2 Process for dyeing synthetic polyamide materials with anthrachinone reactive dyes CIBA-GEIGY AG (CH) 1986-05-14 — — EP disclosed
US-4588411-A Long-shelflife print containing reactive dye and alkali acetate pastes and their use CIBA-GEIGY CORPORATION (US) 1986-05-13 — — US disclosed
EP-0179019-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1986-04-23 — — EP disclosed
EP-0178255-A1 Process for fixing dyeings or printings CIBA-GEIGY AG (CH) 1986-04-16 — — EP disclosed
EP-0177449-A1 Process for printing cellulosic fibres CIBA-GEIGY AG (CH) 1986-04-09 — — EP disclosed
EP-0144093-A1 Storage-stable printing pastes and their use CIBA-GEIGY AG (CH) 1985-06-12 — — EP disclosed
EP-0131545-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-01-16 — — EP disclosed
US-4400504-A DYEING AND PRINTING CELLULOSE AND POLYAMIDE AND-URETHANE FIBERS; TRIAZINE, PYRIDINE AND PYRIMIDINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1983-08-23 — — US disclosed
EP-0053743-A2 Reactive dioxazine dyestuffs, process for their preparation and their use in dyeing and printing fibrous materials containing hydroxyle or amide groups BAYER AG (DE) 1982-06-16 — — 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 (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-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME CBR3, ATL3, CNPY2 ALDH1A1 1956/4885HIF1A 4015/4885VCAM1 4821/4885
US-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex CLTA, COPE, CD68 ALDH1A1 2203/4885HIF1A 1097/4885VCAM1 1073/4885

“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.