SCHEMBL6000109

SCHEMBL6000109

CC(N)(c1ccncc1)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.42
LMNA P02545 4/20 0.39
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP19A1 P11511 3/20 0.35
USP2 O75604 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
NPC1 O15118 4/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6000288 0.81 TSHR (0.46) KIF11LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL6000436 0.80 LMNA (0.37) KIF11LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL5999474 0.80 KIF11 (0.42) KIF11RAB9ASMN1; SMN2CA1CA2
SCHEMBL6000245 0.80 CYP19A1 (0.49) KIF11LMNACYP19A1CYP11B1CYP11B2
SCHEMBL18084413 0.79 KMT2A (0.45) KIF11LMNARAB9AKDM4ECYP19A1
SCHEMBL6000168 0.79 USP2 (0.59) KIF11RAB9AKDM4ECYP19A1USP2
SCHEMBL25981366 0.78 KCNN4 (0.44) KIF11CA1CA2CA5ACA9
SCHEMBL6000332 0.78 KIF11 (0.47) KIF11MAPTALDH1A1TSHR
SCHEMBL27526789 0.74 KIF11 (0.52) KIF11LMNARAB9ASMN1; SMN2CYP19A1
SCHEMBL5999694 0.73 TSHR (0.44) KIF11LMNARAB9ASMN1; SMN2KDM4E

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 KIF11 3865/4885LMNA 4062/4885RAB9A 3582/4885

“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.