SCHEMBL18200657

SCHEMBL18200657

c1cc(-c2ccc(-c3cn4ccccc4n3)cc2)cc(-c2cc3c(-c4ccc5ccccc5c4)nc4ccccc4c3c3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.43
▸ BACE2 Q9Y5Z0 3/20 0.43
▸ RAB9A P51151 10/20 0.42
▸ NPC1 O15118 8/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ PKM P14618 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ KDM4E B2RXH2 8/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ GFER P55789 3/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALDH1A2 O94788 1/20 0.39
▸ ALDH1A3 P47895 1/20 0.39
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL18200659 0.97 BACE1 (0.46) BACE1BACE2RAB9ANPC1ALDH1A1
SCHEMBL18200933 0.96 BACE1 (0.45) BACE1BACE2RAB9ANPC1ALDH1A1
SCHEMBL18200919 0.94 RAB9A (0.45) BACE1BACE2RAB9ANPC1ALDH1A1
SCHEMBL18200677 0.91 TLR9 (0.39) BACE1BACE2RAB9ANPC1ALDH1A1
SCHEMBL18200666 0.90 ALDH1A3 (0.48) RAB9ANPC1ALDH1A1PKMSMN1; SMN2
SCHEMBL18200921 0.89 SCD (0.42) RAB9ANPC1ALDH1A1PKMSMN1; SMN2
SCHEMBL18201097 0.87 BACE1 (0.47) BACE1BACE2RAB9ANPC1ALDH1A1
SCHEMBL18346995 0.86 ALDH1A3 (0.53) RAB9ANPC1ALDH1A1PKMSMN1; SMN2
SCHEMBL17915286 0.84 BACE1 (0.49) BACE1BACE2RAB9ANPC1ALDH1A1
SCHEMBL18201318 0.83 KDM4E (0.41) BACE1BACE2RAB9ANPC1ALDH1A1

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-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 — — US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 — — US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 — — US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 — — EP 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 BACE1 206/4885BACE2 369/4885RAB9A 2864/4885

“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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