SCHEMBL16769402

SCHEMBL16769402

CCCCCCc1ccc(-c2nc(-c3ccc(C)cn3)nc(-c3ccc(C)cn3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NPC1 O15118 6/20 0.52
ATM Q13315 2/20 0.52
STAT3 P40763 1/20 0.52
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48

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 1.00 RAB9A (0.55) RAB9ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL11976546 0.94 RAB9A (0.50) RAB9ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL11976542 0.92 RAB9A (0.59) RAB9ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL16769411 0.88 RAB9A (0.45) RAB9ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL16769428 0.86 RAB9A (0.49) RAB9ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL16769418 0.86 RAB9A (0.49) RAB9ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL12622324 0.86 RAB9A (0.57) RAB9ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL11976539 0.85 ALDH1A1 (0.58) RAB9ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL11927622 0.85 ALDH1A1 (0.58) RAB9ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL11976562 0.85 RAB9A (0.51) RAB9ASMN1; SMN2MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9905767-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-27 US disclosed
US-9853218-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-26 US disclosed
US-20150207077-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-23 US disclosed
US-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-04 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 (2 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-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME ARL1, CCNL2, CRKL RAB9A 825/4885SMN1; SMN2 3233/4885MAPT 2720/4885
US-20150207077-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME ARL1, GRK1, GNA11 RAB9A 1031/4885SMN1; SMN2 2660/4885MAPT 3221/4885

“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.