Sugi Predict

Sugi Predict / Compounds / SCHEMBL540738

SCHEMBL540738

SCHEMBL540738

O=C1c2ccccc2C(=O)N1Cc1ccc(I)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CASP3 P42574 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GRM5 P41594 6/20 0.43
▸ IDO1 P14902 1/20 0.41
▸ PKM P14618 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
SCHEMBL3729405 0.88 TYR (0.49) TYRHTTALDH1A1KMT2AMEN1
SCHEMBL11081773 0.84 MAPT (0.58) TYRHTTALDH1A1KMT2AMEN1
SCHEMBL14723531 0.81 CHRM5 (0.53) TYRHTTALDH1A1KMT2AMEN1
SCHEMBL10205868 0.81 CASP3 (0.41) ALDH1A1KMT2AMEN1CASP3MAPT
SCHEMBL8931780 0.81 TYR (0.46) TYRALDH1A1KMT2AMEN1CASP3
SCHEMBL10339317 0.80 TYR (0.64) TYRHTTALDH1A1KMT2AMEN1
SCHEMBL14321712 0.79 RXFP1 (0.61) TYRHTTALDH1A1KMT2AMEN1
SCHEMBL6940053 0.78 CASP3 (0.58) ALDH1A1CASP3GRM5
SCHEMBL7898483 0.78 ALDH1A1 (0.50) TYRHTTALDH1A1KMT2AMEN1
SCHEMBL14321557 0.78 RXFP1 (0.47) TYRHTTALDH1A1KMT2AMEN1

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-3095780-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2016-11-23 — — EP disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 — — US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 — — US disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 — — US disclosed
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 — — US disclosed
US-20150073139-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-12 — — US disclosed
US-20150011553-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-01-08 — — US disclosed
US-8785647-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-22 — — US disclosed
US-20130310408-A1 Pesticidal Arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-21 — — US disclosed
US-8450483-B2 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2013-05-28 — — US disclosed
US-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-07-14 — — US disclosed
US-7947715-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-24 — — US disclosed
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-04-07 — — US disclosed
US-20100216792-A1 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2010-08-26 — — US disclosed
EP-1997813-B1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL IND LTD (JP) 2010-05-05 — — EP disclosed
WO-2010043315-A1 PESTICIDAL (HETERO) ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-04-22 — — WO disclosed
EP-2148853-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-02-03 — — EP disclosed
US-20090156643-A1 Substituted isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-06-18 — — US disclosed
EP-1997813-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2008-12-03 — — EP disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 — — 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 (8 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-20150011553-A1 Pesticidal Arylpyrrolidines DDT, AADAC, AHR TYR 17/4885HTT 1216/4885ALDH1A1 88/4885
US-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 TYR 124/4885HTT 2671/4885ALDH1A1 261/4885
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES DDT, ITPR3, CYP51A1 TYR 124/4885HTT 2671/4885ALDH1A1 261/4885
US-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE HCRTR1, HAX1, CHRM1 TYR 2634/4885HTT 2457/4885ALDH1A1 297/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 TYR 1935/4885HTT 2638/4885ALDH1A1 201/4885
US-20100216792-A1 Pesticidal arylpyrrolidines DDT, AADAC, AHR TYR 17/4885HTT 1216/4885ALDH1A1 88/4885
US-20150073139-A1 Pesticidal Arylpyrrolidines DDT, ACHE, QDPR TYR 14/4885HTT 1751/4885ALDH1A1 105/4885
US-20130310408-A1 Pesticidal Arylpyrrolidines DDT, ACHE, QDPR TYR 14/4885HTT 1751/4885ALDH1A1 105/4885

“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.