SCHEMBL11976545

SCHEMBL11976545

CCCCCCc1ccc(-c2nc(-c3ccc(C)cn3)nc(-c3ccc(C)cn3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 5/20 0.41
MAPT P10636 3/20 0.41
STAT3 P40763 1/20 0.41
ATM Q13315 1/20 0.41
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
KCNH2 Q12809 1/20 0.39
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 3/20 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 0.85 RAB9A (0.43) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL16769394 0.84 RAB9A (0.55) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL16769402 0.84 RAB9A (0.55) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL18626629 0.82 KCNH2 (0.50) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL20180121 0.82 KCNH2 (0.50) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL19222360 0.82 KCNH2 (0.50) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL16769411 0.81 RAB9A (0.45) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8852051 0.80 KCNH2 (0.47) RAB9ASMN1; SMN2NPC1MAPTNFKB1
SCHEMBL11976552 0.80 KCNH2 (0.45) RAB9ASMN1; SMN2NPC1MAPTKCNH2
SCHEMBL11976542 0.79 RAB9A (0.59) RAB9ASMN1; SMN2NPC1MAPTSTAT3

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 RAB9A 470/4885SMN1; SMN2 2080/4885NPC1 1597/4885

“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.