SCHEMBL6000436

SCHEMBL6000436

CCC(N)(c1ccncc1)c1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KIF11 P52732 2/20 0.35
RAB9A P51151 5/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.33
NPC1 O15118 3/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32

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
SCHEMBL5999948 0.82 TSHR (0.38) LMNAPTGS2KIF11RAB9AKDM4E
SCHEMBL5999469 0.81 CYP19A1 (0.42) KIF11CYP19A1
SCHEMBL5999440 0.81 CA1 (0.38) KIF11RAB9AALDH1A1MAPTNPC1
SCHEMBL5999951 0.81 USP2 (0.55) PTGS2KIF11RAB9AKDM4EUSP2
SCHEMBL5999689 0.81 CYP19A1 (0.55) KMT2ACYP19A1
SCHEMBL6000109 0.80 KIF11 (0.42) LMNAPTGS1PTGS2KIF11RAB9A
SCHEMBL5999709 0.80 KIF11 (0.49) KIF11ALDH1A1MAPT
SCHEMBL5999593 0.75 TSHR (0.41) LMNAKIF11RAB9AKDM4ESMN1; SMN2
SCHEMBL6000325 0.75 CYP17A1 (0.39) KIF11RAB9AUSP2CYP19A1
SCHEMBL5999962 0.74 CYP19A1 (0.39) KIF11KDM4EALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCE, INC. (US) 2006-03-16 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 (1 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-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C LMNA 4062/4885PTGS1 481/4885PTGS2 501/4885

“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.