SCHEMBL4331659

SCHEMBL4331659

CCC(c1nnc(-c2cccc(Cl)c2)o1)c1nnc(-c2ccncc2)n1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.54
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
PIM1 P11309 1/20 0.39
CYP3A4 P08684 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
CALCRL Q16602 1/20 0.37
MAPT P10636 1/20 0.37
BCHE P06276 1/20 0.37
NOTUM Q6P988 1/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL27788313 0.86 KCNH2 (0.52) KCNH2TP53SMN1; SMN2NPC1RAB9A
SCHEMBL1543853 0.82 KCNH2 (0.54) KCNH2TP53SMN1; SMN2NPC1RAB9A
SCHEMBL1543735 0.82 KCNH2 (0.54) KCNH2TP53SMN1; SMN2NPC1RAB9A
SCHEMBL1544379 0.82 KCNH2 (0.54) KCNH2TP53SMN1; SMN2NPC1RAB9A
SCHEMBL1545085 0.80 KCNH2 (0.54) KCNH2TP53SMN1; SMN2NPC1RAB9A
SCHEMBL27810138 0.76 KCNH2 (0.66) KCNH2TP53SMN1; SMN2NPC1RAB9A
SCHEMBL14441737 0.76 TNKS (0.48) KCNH2TP53SMN1; SMN2NPC1RAB9A
SCHEMBL27810131 0.76 KCNH2 (0.55) KCNH2TP53SMN1; SMN2NPC1RAB9A
SCHEMBL1544055 0.75 CYP3A4 (0.52) KCNH2TP53SMN1; SMN2NPC1RAB9A
SCHEMBL1544683 0.74 MEN1 (0.63) KCNH2SMN1; SMN2NPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 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-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 KCNH2 1064/4885TP53 4878/4885SMN1; SMN2 1409/4885

“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.