SCHEMBL15426468

SCHEMBL15426468

CNc1ncc(C)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
OPRK1 P41145 3/20 0.36
IKBKB O14920 2/20 0.36
NOS3 P29474 2/20 0.35
NOS2 P35228 2/20 0.35
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
NOS1 P29475 1/20 0.35
CYP1A2 P05177 3/20 0.32
CYP2D6 P10635 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LRRK2 Q5S007 1/20 0.32
GRM5 P41594 1/20 0.30
NPC1 O15118 1/20 0.30

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
Hydrochloric Acid SCHEMBL28381933 0.98 MAPT (0.36) MAPTKDM4EOPRK1IKBKBNOS3
SCHEMBL13940610 0.80 KMT2A (0.46) MAPTKDM4ECYP1A2CYP2D6ALDH1A1
SCHEMBL13199572 0.77 NOS3 (0.48) MAPTKDM4EIKBKBNOS3NOS2
SCHEMBL22916642 0.77 PLAU (0.42) MAPTALDH1A1TDP1L3MBTL1LRRK2
Hydrochloric Acid SCHEMBL28718520 0.76 NOS3 (0.46) MAPTKDM4EIKBKBNOS3NOS2
SCHEMBL20708654 0.76 NOS3 (0.37) IKBKBNOS3NOS2CCR1CCR5
SCHEMBL28878645 0.75 MAPT (0.36) MAPTKDM4ECCR1CCR5CCR8
SCHEMBL7091347 0.75 MAPT (0.47) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL31527699 0.75 MAPT (0.36) MAPTKDM4EOPRK1NOS3NOS2
SCHEMBL2265758 0.74 NOS3 (0.45) MAPTKDM4EIKBKBNOS3NOS2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278983-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-08 US disclosed
US-9156838-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-20150246911-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-09-03 US disclosed
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 US disclosed
US-8853238-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-07 US disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 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 (3 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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 MAPT 4670/4885KDM4E 2981/4885OPRK1 1739/4885
US-20150246911-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR4A3, NR4A2 MAPT 4659/4885KDM4E 2044/4885OPRK1 1444/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 MAPT 4635/4885KDM4E 2968/4885OPRK1 1756/4885

“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.