SCHEMBL757385

SCHEMBL757385

CCN(C)C=Nc1cc(C)c(O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ G6PD P11413 2/20 0.36
▸ MAPT P10636 7/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL757384 1.00 CYP3A4 (0.38) CYP3A4ADRA2AG6PDMAPTALDH1A1
SCHEMBL2875224 1.00 CYP3A4 (0.38) CYP3A4ADRA2AG6PDMAPTALDH1A1
Hydrochloric Acid SCHEMBL775470 0.98 CYP3A4 (0.37) CYP3A4ADRA2AG6PDMAPTALDH1A1
Hydrochloric Acid SCHEMBL626516 0.98 CYP3A4 (0.37) CYP3A4ADRA2AG6PDMAPTALDH1A1
SCHEMBL6357756 0.82 CYP3A4 (0.42) CYP3A4ADRA2AG6PDMAPTALDH1A1
SCHEMBL6357755 0.82 CYP3A4 (0.42) CYP3A4ADRA2AG6PDMAPTALDH1A1
SCHEMBL761646 0.80 CYP3A4 (0.38) CYP3A4ADRA2AMAPTALDH1A1RAB9A
SCHEMBL750590 0.80 CYP3A4 (0.38) CYP3A4ADRA2ASMN1; SMN2HPGD
SCHEMBL756827 0.80 CYP3A4 (0.38) CYP3A4ADRA2AMAPTALDH1A1RAB9A
SCHEMBL751035 0.80 CYP3A4 (0.38) CYP3A4ADRA2ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933107-B2 Pesticide thiazolyloxy substituted phenylamidine derivatives BAYER CROPSCIENCE AG (DE) 2015-01-13 — — US disclosed
US-20130296436-A1 AMIDINE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED 2013-11-07 — — US disclosed
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 — — US disclosed
EP-1926718-B1 PESTICIDE THIAZOLYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-09-05 — — EP disclosed
WO-2012090969-A1 AMIDINE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 — — WO disclosed
EP-1928818-B1 PESTICIDE BENZYLOXY- AND PHENETYL-SUBSTITUTED PHENYL-AMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-03-21 — — EP disclosed
US-7855309-B2 Pesticide benzyloxy- and phenetyl-substituted phenyl-amidine derivatives BAYER CROPSCIENCE AG (DE) 2010-12-21 — — US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 — — US disclosed
WO-2010115758-A2 FUNGICIDAL COMPOUNDS BASF SE (DE) 2010-10-14 — — WO disclosed
EP-2215051-A1 FUNGICIDAL COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF TO COMBAT DAMAGING FUNGI, AND AGENTS COMPRISING THE SAME BASF SE (DE) 2010-08-11 — — EP disclosed
US-20090197918-A1 PESTICIDE BENZYLOXY- AND PHENETYL-SUBSTITUTED PHENYL-AMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-08-06 — — US disclosed
WO-2009053250-A1 FUNGICIDAL COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF TO COMBAT DAMAGING FUNGI, AND AGENTS COMPRISING THE SAME BASF SE (DE) 2009-04-30 — — WO disclosed
US-20080255196-A1 Fungicides, insecticides; controlling phytopathology fungi or insect damage to plants BAYER CROPSCIENCE AG (DE) 2008-10-16 — — US disclosed
EP-1928818-A1 PESTICIDE BENZYLOXY- AND PHENETYL-SUBSTITUTED PHENYL-AMIDINE DERIVATIVES Bayer CropScience AG (DE) 2008-06-11 — — EP disclosed
EP-1926718-A1 PESTICIDE THIAZOLYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES Bayer CropScience AG (DE) 2008-06-04 — — EP disclosed
WO-2007031513-A1 PESTICIDE THIAZOLYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-03-22 — — WO disclosed
WO-2007031526-A1 PESTICIDE BENZYLOXY- AND PHENETYL-SUBSTITUTED PHENYL-AMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-03-22 — — 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 (4 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-20090197918-A1 PESTICIDE BENZYLOXY- AND PHENETYL-SUBSTITUTED PHENYL-AMIDINE DERIVATIVES PAH, DDT, PNPO CYP3A4 53/4885ADRA2A 3944/4885G6PD 1813/4885
US-20080255196-A1 Fungicides, insecticides; controlling phytopathology fungi or insect damage to plants DDT, CYP4B1, PFAS CYP3A4 13/4885ADRA2A 3153/4885G6PD 404/4885
US-20130296436-A1 AMIDINE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL C5, ATL3, C1S CYP3A4 3201/4885ADRA2A 3581/4885G6PD 2154/4885
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT CYP3A4 55/4885ADRA2A 4337/4885G6PD 42/4885

“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.

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