SCHEMBL3091841

SCHEMBL3091841

OCc1cnc(-c2ccccc2Cl)nc1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
CNR2 P34972 4/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
NOTUM Q6P988 1/20 0.38
CYP2C9 P11712 2/20 0.38

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
SCHEMBL4981395 0.89 L3MBTL1 (0.48) CNR1L3MBTL1ALDH1A1CNR2KDM4E
SCHEMBL4366904 0.87 L3MBTL1 (0.44) CNR1L3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL4624996 0.84 NOTUM (0.49) MAPTNPC1RAB9ANOTUMCYP2C9
SCHEMBL3080426 0.75 KMT2A (0.49) L3MBTL1ALDH1A1MAPTNPC1NFKB1
Methane SCHEMBL10489046 0.72 L3MBTL1 (0.50) CNR1L3MBTL1ALDH1A1MAPTCNR2
Ethane SCHEMBL27463301 0.71 L3MBTL1 (0.52) CNR1L3MBTL1ALDH1A1MAPTCNR2
SCHEMBL4464844 0.70 DPP4 (0.59) L3MBTL1KDM4ETSHRNOTUMCYP2C9
SCHEMBL3061793 0.70 CYP2A6 (0.42) L3MBTL1ALDH1A1NPC1TP53TSHR
SCHEMBL27926997 0.70 L3MBTL1 (0.49) CNR1L3MBTL1ALDH1A1KDM4ECYP1A2
SCHEMBL1497158 0.69 CYP2C19 (0.53) NOTUMCYP1A2CYP2C19NR4A2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155263-A1 Fungicidal Mixtures Based on Azolopyrimidinylamines BASF SE (DE) 2014-06-05 US disclosed
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US disclosed
US-7598206-B2 Fungicidal mixtures BASF AKTIENGESELLSCHAFT (DE) 2009-10-06 US disclosed
US-20090104222-A1 COMPOSITION COMPRISING A GLUCAN OR A GLUCAN DERIVATIVE AND A PESTICIDE AND METHODS FOR IMPROVING PLANT HEALTH BASF SE (DE) 2009-04-23 US disclosed
US-20080249113-A1 Fungicidal Mixtures BASF AKITENGESELLSCHAFT (DE) 2008-10-09 US disclosed
US-20080064756-A1 Use of Alcohol-Oxyalkylates in the Form of Adjuvants for Benzamidoxime Fungicidal Derivatives, Appropriate Agents and Kits BASF AKTIENGESELLSCHAFT (DE) 2008-03-13 US disclosed
US-20080045414-A1 Of 2,3-dimethyl-3-(3-pyridyl)-5-(4-chlorophenyl)isoxazolidine and at least one other fungicide; reduced application rate, broadened spectrum; synergistic against phytopathogens BASF AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20080039319-A1 Fungicidal Mixtures and Novel Triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2008-02-14 US disclosed
US-20070161652-A1 Fungicidal mixtures BASF AKTIENGESELLSCHAFT (DE) 2007-07-12 US disclosed
US-6680283-B1 TREATMENT OF PLANTS, AND ALSO FOR THE THERAPEUTIC TREATMENT OF HUMAN DISORDERS CAUSED BY HARMFUL FUNGI, AND FOR THE VETERINARY TREATMENT OF MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2004-01-20 US disclosed
US-6310071-B1 FUNGICIDES, INSECTICIDES, MITICIDES, NEMATOCIDES BASF AKTIENGESELLSCHAFT (DE) 2001-10-30 US disclosed
US-6166026-A 2-(O-[pyrimidin-4-yl]methyleneoxy)phenylacetic acid derivatives and their use in combatting noxious fungi and animal pests BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
US-6130247-A SUITABLE FOR CONTROLLING ANIMAL PESTS OR HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
US-6124345-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-09-26 US disclosed
US-6114342-A 2-(O-[pyrimidin-4-yl]methylenoxy)phenylacetic acid derivatives and their use for controlling harmful fungi and animal pests BASF AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
US-6090853-A Fungicidally active carboxylic acid amides BASF AKTIENGESELLSCHAFT (DE) 2000-07-18 US disclosed
US-6069144-A N-heterocyclic compounds, intermediate products used to prepare them, agents containing them and their use in antifungal applications BASF AKTIENGESELLSCHAFT (DE) 2000-05-30 US disclosed
US-5955473-A 4-HYDRAZINO- OR 4-AZO-SUBSTITUTED QUINOLINES BASF AKTIENGESELLSCHAFT (DE) 1999-09-21 US disclosed
US-5922899-A Carbamoyl carboxylic acid amides BASF AKTIENGESELLSCHAFT (DE) 1999-07-13 US disclosed
EP-0234622-A1 New thio compounds having fungicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1987-09-02 EP 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-20080249113-A1 Fungicidal Mixtures ARSA, DDT, AZI2 CNR1 4011/4885L3MBTL1 797/4885ALDH1A1 498/4885
US-20100273649-A1 Fungicidal Mixtures III CBR3, CBR1, NOX3 CNR1 183/4885L3MBTL1 1426/4885ALDH1A1 268/4885
US-20090104222-A1 COMPOSITION COMPRISING A GLUCAN OR A GLUCAN DERIVATIVE AND A PESTICIDE AND METHODS FOR IMPROVING PLANT HEALTH ALG1, GHDC, GYS2 CNR1 4343/4885L3MBTL1 2113/4885ALDH1A1 1758/4885
US-20140155263-A1 Fungicidal Mixtures Based on Azolopyrimidinylamines DDT, STS, ARSA CNR1 1826/4885L3MBTL1 3833/4885ALDH1A1 2468/4885
US-20080064756-A1 Use of Alcohol-Oxyalkylates in the Form of Adjuvants for Benzamidoxime Fungicidal Derivatives, Appropriate Agents and Kits ADH5, AOX1, CYP2E1 CNR1 2859/4885L3MBTL1 3992/4885ALDH1A1 54/4885
US-20080045414-A1 Of 2,3-dimethyl-3-(3-pyridyl)-5-(4-chlorophenyl)isoxazolidine and at least one other fungicide; reduced application rate, broadened spectrum; synergistic against phytopathogens DDT, CYP4X1, STS CNR1 1081/4885L3MBTL1 3833/4885ALDH1A1 3457/4885
US-20080039319-A1 Fungicidal Mixtures and Novel Triazolopyrimidines ATIC, ARSA, AOC1 CNR1 2096/4885L3MBTL1 328/4885ALDH1A1 78/4885
US-20070161652-A1 Fungicidal mixtures DPM1, CYP51A1, CYP4F2 CNR1 4711/4885L3MBTL1 982/4885ALDH1A1 1361/4885

“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.