SCHEMBL395873

SCHEMBL395873

CCC(C)(C)C1=C(C#N)C(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ CASP3 P42574 2/20 0.47
▸ SENP8 Q96LD8 2/20 0.47
▸ SENP7 Q9BQF6 2/20 0.47
▸ SENP6 Q9GZR1 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ PARG Q86W56 1/20 0.38
▸ USP8 P40818 3/20 0.38
▸ USP7 Q93009 2/20 0.38
▸ USP47 Q96K76 1/20 0.36
▸ MCL1 Q07820 2/20 0.35
▸ BCL2 P10415 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ MAPT P10636 5/20 0.35
▸ POLB P06746 2/20 0.35
▸ HTT P42858 2/20 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
SCHEMBL29399456 1.00 LMNA (0.47) LMNANPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL28333502 0.75 RAB9A (0.56) LMNANPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL29496222 0.74 MEN1 (0.55) LMNANPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL187098 0.74 MEN1 (0.55) LMNANPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL10696799 0.72 RAB9A (0.39) LMNANPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL8405065 0.71 APAF1 (0.52) LMNANPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL28383679 0.70 USP8 (0.50) LMNANPC1RAB9ASMN1; SMN2MAPK1
Anthraquinone SCHEMBL28722242 0.68 RAB9A (0.71) LMNANPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL10967500 0.67 ALDH1A1 (0.50) LMNASMN1; SMN2USP8USP7USP47
SCHEMBL7854282 0.67 USP8 (0.37) LMNANPC1RAB9ASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533633-B1 FUNGICIDAL MIXTURES LANXESS DISTRIB GMBH (DE) 2017-02-01 — — EP claimed
US-20130195997-A1 FUNGICIDAL MIXTURES LANXESS DISTRIBUTION GMBH (DE) 2013-08-01 — — US claimed
US-20110319435-A1 FUNGICIDE MIXTURES LANXESS DISTRIBUTION GMBH (DE) 2011-12-29 — — US claimed
EP-2153720-A1 Fungicide mixtures comprising formate LANXESS Distribution GmbH (DE) 2010-02-17 — — EP claimed
CN-113395898-A Compositions for treating citrus disease and promoting yield enhancement of row crops 斯波根生物技术公司 2021-09-14 — — CN disclosed
CN-111491654-A Biologically active polypeptides for improving the protection, growth and productivity of plants 斯波根生物技术公司 2020-08-04 — — CN disclosed
EP-2533633-B1 FUNGICIDAL MIXTURES LANXESS DISTRIB GMBH (DE) 2017-02-01 — — EP disclosed
US-20160152578-A1 CRYSTALLINE MODIFICATIONS OF PROTHIOCONAZOLE ADAMA MAKHTESHIM LTD (IL) 2016-06-02 — — US disclosed
US-9326514-B2 Fungicidal active substance combinations containing trifloxystrobin BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-03 — — US disclosed
US-9290461-B2 Crystalline modifications of prothioconazole ADAMA MAKHTESHIM LTD (IL) 2016-03-22 — — US disclosed
CN-104478814-A Crystalline modifications of prothioconazole MAKHTESHIM CHEM WORKS LTD 2015-04-01 — — CN disclosed
CN-102083802-B Crystal modification of prothioconazole MAKHTESHIM CHEM WORKS LTD 2015-02-04 — — CN disclosed
US-20030040540-A1 For use as biocides for protecting plants and industrial materials BAYER AKTIENGESELLSCHAFT (DE) 2003-02-27 — — US disclosed
WO-2003010149-A1 PYRAZOLYLCARBOXANILIDES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2003-02-06 — — WO disclosed
WO-2002068413-A1 PYRAZOLYL PYRIMIDINES BAYER CROPSCIENCE AG (DE) 2002-09-06 — — WO disclosed
US-6369093-B1 Pyrazole carboxanilide fungicide BAYER AKTIENGESELLSCHAFT (DE) 2002-04-09 — — US disclosed
WO-2002006259-A1 HETEROCYCLIC FLUOROALKENYL THIOETHERS AND THE USE THEREOF AS PESTICIDES (IV) BAYER CROPSCIENCE AG (DE) 2002-01-24 — — WO disclosed
WO-2002006257-A1 HETEROCYCLIC FLUOROALKENYL THIOETHERS AND THE USE THEREOF AS PESTICIDES (III) BAYER CROPSCIENCE AG (DE) 2002-01-24 — — WO disclosed
WO-2002006256-A1 HETEROCYCLIC FLUOROALKENYL THIOETHERS (II) BAYER CROPSCIENCE AG (DE) 2002-01-24 — — WO disclosed
US-6001879-A SUITABLE FOR CONTROLLING PESTS, PREFERABLY FUNGI, INSECTS AND BACTERIA, IN PLANTS AND INDUSTRIAL MATERIALS; METHODS OF THEIR SYBNTHESIS INCLUDING REACTING AMINOSALICYLAMIDES WITH ACYLATING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1999-12-14 — — US 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-20030040540-A1 For use as biocides for protecting plants and industrial materials BROX, GPX1, PRDX3 LMNA 3259/4885NPC1 1458/4885RAB9A 2044/4885
US-20160152578-A1 CRYSTALLINE MODIFICATIONS OF PROTHIOCONAZOLE RPL23A, CASP3, NOX3 LMNA 1164/4885NPC1 1251/4885RAB9A 3357/4885

“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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