SCHEMBL11976552

SCHEMBL11976552

CCCCCCCCCCCCc1ccc(-c2nc(-c3cccc(C)c3)nc(-c3cccc(C)c3)n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
RAB9A P51151 4/20 0.42
TP53 P04637 2/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
TLR8 Q9NR97 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ICMT O60725 2/20 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
SCHEMBL11976550 0.83 RAB9A (0.43) KCNH2RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL18216916 0.81 RAB9A (0.50) RAB9ATP53ADORA3TLR8SMN1; SMN2
SCHEMBL11976545 0.80 RAB9A (0.41) KCNH2RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL11976551 0.76 HDAC1 (0.39) KCNH2RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL22932773 0.76 SPHK2 (0.46) KCNH2RAB9ATP53TLR8SMN1; SMN2
SCHEMBL11976421 0.75 RAB9A (0.46) RAB9ATP53ADORA3SMN1; SMN2KDM4E
SCHEMBL11976571 0.74 RAB9A (0.48) RAB9ATP53TLR8CTSSCTSK
SCHEMBL10128326 0.73 TP53 (0.41) KCNH2TP53ADORA3ADORA2ATLR8
SCHEMBL14463295 0.73 GCGR (0.46) KCNH2TLR8SUCNR1ICMTL3MBTL1
SCHEMBL14576870 0.72 KCNH2 (0.45) KCNH2RAB9ASMN1; SMN2MAPTNPC1

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-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-16 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-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME HDAC10, EMG1, PRMT1 KCNH2 379/4885RAB9A 470/4885TP53 4692/4885

“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.