SCHEMBL14478632

SCHEMBL14478632

c1ccc2c(c1)c(-c1ccc(-c3cn4ccccc4n3)cc1)cc1c3ccccc3c3ncccc3c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 0.48
▸ NPC1 O15118 13/20 0.48
▸ ALDH1A1 P00352 8/20 0.48
▸ SMN1; SMN2 Q16637 8/20 0.48
▸ PKM P14618 5/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ KDM4E B2RXH2 10/20 0.48
▸ POLB P06746 3/20 0.48
▸ GFER P55789 3/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MIF P14174 1/20 0.45
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ MAPT P10636 5/20 0.42
▸ HPGD P15428 2/20 0.42

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
SCHEMBL9611921 0.89 RAB9A (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL14478656 0.85 RAB9A (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL9611827 0.82 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL9976929 0.81 RAB9A (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL9976905 0.81 RAB9A (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL9611922 0.80 CASP3 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL21499408 0.78 ALDH1A3 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL16546987 0.77 RAB9A (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL12197908 0.76 RAB9A (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL9611916 0.76 RAB9A (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8986855-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-24 — — US disclosed
US-8986855-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-24 — — US disclosed
US-8951649-B2 — — 2015-02-10 — — US disclosed
US-8951649-B2 — — 2015-02-10 — — US disclosed
US-20130001529-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-01-03 — — US disclosed
US-20130001529-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-01-03 — — 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-20130001529-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, ORC3, NR2E3 RAB9A 1479/4885NPC1 3503/4885ALDH1A1 56/4885

“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.

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