Sugi Predict

Sugi Predict / Compounds / SCHEMBL116789

SCHEMBL116789

SCHEMBL116789

CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.53
▸ GAA P10253 1/20 0.52
▸ AKR1B1 P15121 1/20 0.52
▸ AKR1C4 P17516 1/20 0.52
▸ AKR1C3 P42330 1/20 0.52
▸ AKR1C2 P52895 1/20 0.52
▸ AKR1C1 Q04828 1/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HCAR3 P49019 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46

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
SCHEMBL117687 0.88 GAA (0.56) MAPTGAAAKR1B1AKR1C4AKR1C3
SCHEMBL7261922 0.88 GAA (0.66) MAPTGAAMAPK1ALDH1A1KMT2A
SCHEMBL29653763 0.88 GAA (0.66) MAPTGAAMAPK1ALDH1A1KMT2A
SCHEMBL27847152 0.86 MAPT (0.58) MAPTGAAAKR1B1AKR1C4AKR1C3
SCHEMBL27864294 0.84 MAPT (0.56) MAPTGAAAKR1B1AKR1C4AKR1C3
SCHEMBL117562 0.83 AKR1B1 (0.56) MAPTGAAAKR1B1AKR1C4AKR1C3
SCHEMBL27653716 0.82 GAA (0.53) MAPTGAAAKR1B1AKR1C4AKR1C3
SCHEMBL9725555 0.82 MAPT (0.56) MAPTGAAAKR1B1AKR1C4AKR1C3
SCHEMBL10881627 0.81 MEN1 (0.62) MAPTGAAALDH1A1KMT2APOLB
SCHEMBL27653569 0.81 AKR1B1 (0.49) MAPTGAAAKR1B1AKR1C4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-102414195-B Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL CO 2014-11-12 — — CN disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 — — US disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 — — US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 — — US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 — — US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 — — US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 — — US 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
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
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 — — US disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 — — US disclosed
WO-2009019506-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2009-02-12 — — WO disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 — — 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 (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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 MAPT 4423/4885GAA 4623/4885AKR1B1 1344/4885
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY EDF1, ERLIN1, ECE1 MAPT 4806/4885GAA 2714/4885AKR1B1 2762/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 MAPT 4423/4885GAA 4623/4885AKR1B1 1344/4885

“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.