Sugi Predict

Sugi Predict / Compounds / SCHEMBL117243

SCHEMBL117243

SCHEMBL117243

CNc1ccc(OC(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.50
▸ TLR2 O60603 1/20 0.48
▸ TLR1 Q15399 1/20 0.48
▸ HTT P42858 2/20 0.48
▸ DHODH Q02127 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ CDC25B P30305 1/20 0.43
▸ MAPT P10636 5/20 0.43
▸ ALDH3A1 P30838 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MITF O75030 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41

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
SCHEMBL22382558 0.88 MAPT (0.47) HCAR3TLR2TLR1HTTDHODH
SCHEMBL28067658 0.85 DHODH (0.43) TLR2TLR1HTTDHODHMEN1
SCHEMBL3483129 0.83 KMT2A (0.56) HTTDHODHMEN1KMT2AMAPT
SCHEMBL6522547 0.82 HCAR3 (0.57) HCAR3HTTMEN1KMT2ACDC25B
SCHEMBL27597146 0.81 DHODH (0.53) HTTDHODHMEN1KMT2AMAPT
SCHEMBL430629 0.81 MAPT (0.59) HCAR3MEN1KMT2AMAPTRAB9A
SCHEMBL16429768 0.80 L3MBTL1 (0.58) HCAR3HTTMEN1KMT2AMAPT
SCHEMBL31714528 0.80 ALDH1A1 (0.50) HTTMEN1KMT2AMAPTMAPK1
SCHEMBL2540815 0.80 ALDH1A1 (0.50) HTTMEN1KMT2AMAPTMAPK1
SCHEMBL5563288 0.79 MEN1 (0.50) DHODHMEN1KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409533-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2024-12-12 — — US disclosed
CN-113874074-B HMOX1 inducers 米托布里奇公司 2024-11-01 — — CN disclosed
US-12071433-B2 HMOX1 inducers Astellas Engineered Small Molecules US, Incorporated (US) 2024-08-27 — — US disclosed
US-20240051952-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2024-02-15 — — US disclosed
US-20220177460-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2022-06-09 — — US disclosed
EP-3952990-A1 HMOX1 INDUCERS Mitobridge, Inc. (US) 2022-02-16 — — EP disclosed
WO-2020210339-A1 HMOX1 INDUCERS MITOBRIDGE, INC. (US) 2020-10-15 — — WO disclosed
US-10766888-B1 HMOX1 inducers MITOBRIDGE INC. (US) 2020-09-08 — — US disclosed
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 — — EP disclosed
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 — — EP disclosed
WO-2012057266-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 — — WO disclosed
WO-2012057269-A1 HARMFUL ANIMAL CONTROL COMPOSITION AND METHOD FOR CONTROLLING HARMFUL ANIMALS 住友化学株式会社 (JP) 2012-05-03 — — WO disclosed
WO-2012057264-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 — — WO disclosed
WO-2012057265-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 — — WO disclosed
CN-102414195-A Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL CO 2012-04-11 — — CN disclosed
EP-2424856-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-03-07 — — EP disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 — — US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 — — US disclosed
WO-2010125985-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 — — WO disclosed
WO-2010125985-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 — — WO 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 (6 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-10766888-B1 HMOX1 inducers HMOX1, HMOX2, HMBS HCAR3 654/4885TLR2 2378/4885TLR1 1331/4885
US-20240409533-A1 HMOX1 INDUCERS HMOX1, HMOX2, HMBS HCAR3 654/4885TLR2 2378/4885TLR1 1331/4885
US-12071433-B2 HMOX1 inducers HMOX1, HMOX2, HMBS HCAR3 775/4885TLR2 2342/4885TLR1 1092/4885
US-20240051952-A1 HMOX1 INDUCERS HMOX1, HMOX2, QSOX1 HCAR3 517/4885TLR2 1820/4885TLR1 587/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 HCAR3 107/4885TLR2 534/4885TLR1 602/4885
US-20220177460-A1 HMOX1 INDUCERS HMOX1, HMOX2, HMBS HCAR3 775/4885TLR2 2342/4885TLR1 1092/4885

“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.