SCHEMBL3066779

SCHEMBL3066779

CO/N=C(\Cc1cccnc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
HTT P42858 1/20 0.46
DRD4 P21917 2/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
IDO1 P14902 1/20 0.42
PKM P14618 1/20 0.42
CHRNB2 P17787 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
SCHEMBL22695 1.00 RAB9A (0.47) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL30697719 1.00 RAB9A (0.47) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL22696 1.00 RAB9A (0.47) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL29586383 1.00 RAB9A (0.47) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL28784244 0.99 RAB9A (0.46) RAB9AALDH1A1NPC1NFKB1NFKB2
Methyl Alcohol SCHEMBL28193600 0.99 DRD4 (0.47) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL8410122 0.93 IDO1 (0.47) RAB9AALDH1A1NPC1NFKB1NFKB2
Pentachlorophenol SCHEMBL2229122 0.93 ALDH1A1 (0.43) RAB9AALDH1A1NPC1NFKB1NFKB2
Oxazole SCHEMBL28269124 0.90 ALDH1A1 (0.41) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL10906795 0.90 RAB9A (0.46) RAB9AALDH1A1NPC1NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180007908-A1 Pesticidal Mixtures BASF SE (DE) 2018-01-11 US disclosed
US-9247744-B2 Ternary pesticidal mixtures BASF SE (DE) 2016-02-02 US disclosed
US-20160007609-A1 Pesticidal Mixtures BASF SE (DE) 2016-01-14 US disclosed
EP-1909579-B1 FUNGICIDAL MIXTURES BASED ON AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2015-10-07 EP disclosed
US-20150080215-A1 TERNARY PESTICIDAL MIXTURES BASF SE (DE) 2015-03-19 US disclosed
US-20140155263-A1 Fungicidal Mixtures Based on Azolopyrimidinylamines BASF SE (DE) 2014-06-05 US disclosed
US-8679514-B2 Fungicidal mixtures based on azolopyrimidinylamines BASF SE (DE) 2014-03-25 US disclosed
EP-2489266-A2 Pesticidal mixtures comprising an anthranilamide insecticide and a fungicide BASF SE (DE) 2012-08-22 EP disclosed
EP-2489268-A2 Pesticidal mixtures comprising an anthranilamide insecticide and a fungicide BASF SE (DE) 2012-08-22 EP disclosed
EP-2489267-A2 Pesticidal mixtures comprising an anthranilamide insecticide and a fungicide BASF SE (DE) 2012-08-22 EP disclosed
US-20080039319-A1 Fungicidal Mixtures and Novel Triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2008-02-14 US disclosed
WO-2007122264-A2 COMPOSITION COMPRISING A GLUCAN OR A GLUCAN DERIVATIVE AND A PESTICIDE AND METHODS FOR IMPROVING PLANT HEALTH BASF SE (DE) 2007-11-01 WO disclosed
EP-1849364-A1 Composition comprising a glucan or a glucan derivative and a pesticide and methods for improving plant health BASF AKTIENGESELLSCHAFT (DE) 2007-10-31 EP disclosed
EP-1830650-A1 FUNGICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2007-09-12 EP disclosed
EP-1830645-A1 FUNGICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2007-09-12 EP disclosed
WO-2007012598-A1 FUNGICIDAL MIXTURES BASED ON AZOLOPYRIMIDINYLAMINES BASF AKTIENGESELLSCHAFT (DE) 2007-02-01 WO disclosed
EP-1746892-A2 FUNGICIDAL MIXTURES AND NOVEL TRIAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2007-01-31 EP disclosed
WO-2006069699-A1 FUNGICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2006-07-06 WO disclosed
WO-2006069715-A1 FUNGICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2006-07-06 WO disclosed
WO-2005110080-A2 FUNGICIDAL MIXTURES AND NOVEL TRIAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2005-11-24 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 (5 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-20160007609-A1 Pesticidal Mixtures PTMS, THOP1, MLN RAB9A 2723/4885ALDH1A1 4239/4885NPC1 4658/4885
US-20180007908-A1 Pesticidal Mixtures PTMS, THOP1, MLN RAB9A 2723/4885ALDH1A1 4239/4885NPC1 4658/4885
US-20140155263-A1 Fungicidal Mixtures Based on Azolopyrimidinylamines DDT, STS, ARSA RAB9A 3113/4885ALDH1A1 2468/4885NPC1 4721/4885
US-20080039319-A1 Fungicidal Mixtures and Novel Triazolopyrimidines ATIC, ARSA, AOC1 RAB9A 4339/4885ALDH1A1 78/4885NPC1 1508/4885
US-20150080215-A1 TERNARY PESTICIDAL MIXTURES AADAC, AS3MT, DDT RAB9A 2646/4885ALDH1A1 2410/4885NPC1 2458/4885

“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.