SCHEMBL679761

SCHEMBL679761

Cc1nc(-c2ccccc2)n(C)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.68
NR1H2 P55055 3/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
SIGMAR1 Q99720 1/20 0.49
KDM4C Q9H3R0 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 3/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
BRCA1 P38398 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B2 P37059 1/20 0.44

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
SCHEMBL18118491 0.87 TMEM97 (0.57) NR1H3NR1H2NPC1RAB9ASIGMAR1
SCHEMBL822566 0.81 NR1H3 (1.00) NR1H3NR1H2NPC1RAB9ASIGMAR1
SCHEMBL2645379 0.79 HSD17B2 (0.49) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL27217204 0.79 NR1H3 (0.63) NR1H3NR1H2NPC1RAB9ASIGMAR1
SCHEMBL5924399 0.79 NR1H2 (0.63) NR1H3NR1H2NPC1RAB9ASIGMAR1
SCHEMBL12340918 0.78 NR1H2 (0.61) NR1H3NR1H2NPC1RAB9ASIGMAR1
SCHEMBL12343973 0.76 NR1H3 (0.59) NR1H3NR1H2NPC1RAB9ASIGMAR1
SCHEMBL22307346 0.76 NR1H3 (0.82) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL12909522 0.76 NR1H2 (0.59) NR1H3NR1H2NPC1RAB9ASIGMAR1
SCHEMBL10585221 0.75 SMN1; SMN2 (0.59) NPC1RAB9AL3MBTL1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190174759-A1 FUNGICIDAL ACTIVE COMPOUND COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-06-13 US disclosed
US-10244755-B2 Fungicidal active compound combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-02 US disclosed
EP-2099751-B1 BIPHENYL-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER IP GMBH (DE) 2018-05-30 EP disclosed
US-9968091-B2 Selective herbicides based on substituted thien-3-yl-sulphonylamino(thio)carbonyltriazolin(thi)ones and safeners BAYER CROPSCIENCE AG (DE) 2018-05-15 US disclosed
US-9968091-B2 Selective herbicides based on substituted thien-3-yl-sulphonylamino(thio)carbonyltriazolin(thi)ones and safeners BAYER CROPSCIENCE AG (DE) 2018-05-15 US disclosed
US-9666825-B2 Light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-05-30 US disclosed
US-9666825-B2 Light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-05-30 US disclosed
US-20160293877-A1 Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-10-06 US disclosed
US-20160293877-A1 Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-10-06 US disclosed
US-9379345-B2 Light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-06-28 US disclosed
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-06-07 US disclosed
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-06-07 US disclosed
WO-2007048545-A2 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2007-05-03 WO disclosed
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide BAYER CROPSCIENCE AG (DE) 2007-04-26 US disclosed
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide BAYER CROPSCIENCE AG (DE) 2007-04-26 US disclosed
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 US disclosed
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 US disclosed
EP-1429613-B1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES AND SAFENERS BAYER CROPSCIENCE AG (DE) 2007-01-17 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 (6 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-20190174759-A1 FUNGICIDAL ACTIVE COMPOUND COMBINATIONS DDT, CYP4X1, CYP51A1 NR1H3 2945/4885NR1H2 2568/4885NPC1 4497/4885
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols CYP4X1, KDM4E, KCNE1 NR1H3 1123/4885NR1H2 1327/4885NPC1 4457/4885
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics DDT, CYP1A2, HPD NR1H3 962/4885NR1H2 1195/4885NPC1 4055/4885
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide DDT, CYP4X1, HPD NR1H3 2261/4885NR1H2 1653/4885NPC1 4644/4885
US-10244755-B2 Fungicidal active compound combinations DDT, CYP4X1, CYP51A1 NR1H3 2945/4885NR1H2 2568/4885NPC1 4497/4885
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives TBCA, CA6, TRIP13 NR1H3 1581/4885NR1H2 1287/4885NPC1 3103/4885

“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.