SCHEMBL3107652

SCHEMBL3107652

C[CH]c1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GRM5 P41594 3/20 0.44
NOTUM Q6P988 2/20 0.41
FLT3 P36888 1/20 0.38
GSK3B P49841 1/20 0.38
MGLL Q99685 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL2895448 0.86 GRM5 (0.45) PKMALDH1A1LMNAKDM4EPOLB
SCHEMBL2889796 0.80 GRM5 (0.46) PKMALDH1A1LMNAKDM4EPOLB
SCHEMBL2889795 0.80 GRM5 (0.46) PKMALDH1A1LMNAKDM4EPOLB
SCHEMBL4529691 0.78 GRM5 (0.46) PKMALDH1A1LMNAPOLBMEN1
SCHEMBL5751658 0.76 GRM5 (0.38) PKMALDH1A1LMNAKDM4EPOLB
SCHEMBL3107655 0.75 GRM5 (0.47) PKMALDH1A1LMNAMEN1NPC1
SCHEMBL2962451 0.74 PKM (0.51) PKMALDH1A1LMNAPOLBMEN1
SCHEMBL14363428 0.74 GRM5 (0.48) PKMALDH1A1LMNAMEN1NPC1
SCHEMBL4051271 0.74 GRM5 (0.48) PKMALDH1A1LMNAMEN1NPC1
SCHEMBL27770577 0.74 GRM5 (0.46) PKMALDH1A1LMNAMEN1NPC1

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-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 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-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 GRM5, GRM3, GRIK5 PKM 2640/4885ALDH1A1 4323/4885LMNA 4804/4885

“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.