SCHEMBL14478656

SCHEMBL14478656

c1ccc(-c2cnc3c4ccccc4c4cc(-c5ccc(-c6cn7ccccc7n6)cc5)c5ccccc5c4c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 0.45
▸ NPC1 O15118 12/20 0.45
▸ ALDH1A1 P00352 8/20 0.45
▸ SMN1; SMN2 Q16637 7/20 0.45
▸ PKM P14618 5/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ KDM4E B2RXH2 9/20 0.44
▸ POLB P06746 2/20 0.44
▸ GFER P55789 3/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MIF P14174 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A3 P47895 2/20 0.41
▸ ALDH1A2 O94788 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41

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 0.86 RAB9A (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL14478632 0.85 RAB9A (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL21499408 0.83 ALDH1A3 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL9976926 0.79 ALDH1A3 (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL9611922 0.79 CASP3 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL9611827 0.79 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL9976929 0.78 RAB9A (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL9976905 0.77 RAB9A (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL14478659 0.77 AXL (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12197915 0.76 RAB9A (0.43) 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.

Send feedback