SCHEMBL11976546

SCHEMBL11976546

CCCCc1ccc(-c2nc(-c3ccc(C)cn3)nc(-c3ccc(C)cn3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.50
SMN1; SMN2 Q16637 10/20 0.50
NPC1 O15118 10/20 0.50
NFKB1 P19838 5/20 0.50
NFKB2 Q00653 5/20 0.50
RELA Q04206 5/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TP53 P04637 3/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ATM Q13315 2/20 0.45

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
SCHEMBL16769394 0.94 RAB9A (0.55) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL16769402 0.94 RAB9A (0.55) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL11976562 0.90 RAB9A (0.51) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL11976542 0.86 RAB9A (0.59) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL12374397 0.85 RAB9A (0.51) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL16769411 0.82 RAB9A (0.45) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL12628191 0.81 CCR1 (0.58) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL12628177 0.81 CCR1 (0.58) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL13539887 0.81 RAB9A (0.57) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL16769418 0.81 RAB9A (0.49) RAB9ASMN1; SMN2NPC1NFKB1NFKB2

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.