SCHEMBL11976567

SCHEMBL11976567

CCCCCCc1ccc(-c2nc(-c3ccc(C)cn3)cc(-c3ccc(C)cn3)n2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.53
SMN1; SMN2 Q16637 9/20 0.53
NPC1 O15118 8/20 0.53
NFKB1 P19838 4/20 0.53
NFKB2 Q00653 4/20 0.53
RELA Q04206 4/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 4/20 0.52
STAT3 P40763 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.48
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43

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
SCHEMBL11976559 0.88 RAB9A (0.61) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL12622285 0.85 RAB9A (0.63) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL11976542 0.84 RAB9A (0.59) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL16769394 0.84 RAB9A (0.55) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL16769402 0.84 RAB9A (0.55) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL16769411 0.83 RAB9A (0.45) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL11976562 0.82 RAB9A (0.51) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL1049347 0.82 RAB9A (0.71) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL1046569 0.82 RAB9A (0.71) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9081648 0.81 RAB9A (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492276-B1 METAL COMPLEX, POLYMER, AND ELEMENT OBTAINED USING SAME SUMITOMO CHEMICAL CO (JP) 2014-10-08 EP disclosed
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.