SCHEMBL18201097

SCHEMBL18201097

c1cc(-c2ccc(-c3cn4ccccc4n3)cc2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.47
▸ BACE2 Q9Y5Z0 2/20 0.47
▸ RAB9A P51151 10/20 0.45
▸ KDM4E B2RXH2 10/20 0.45
▸ NPC1 O15118 8/20 0.45
▸ POLB P06746 3/20 0.45
▸ GFER P55789 3/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ PKM P14618 4/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MIF P14174 1/20 0.43
▸ ALDH1A2 O94788 1/20 0.42
▸ ALDH1A3 P47895 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CASP3 P42574 1/20 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
SCHEMBL18200439 0.96 BACE1 (0.49) BACE1BACE2RAB9AKDM4ENPC1
SCHEMBL18201096 0.96 BACE1 (0.51) BACE1BACE2RAB9AKDM4ENPC1
SCHEMBL18200435 0.92 RAB9A (0.50) BACE1BACE2RAB9AKDM4ENPC1
SCHEMBL18201092 0.89 ALDH1A3 (0.53) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL18201085 0.89 TLR9 (0.44) BACE1BACE2RAB9AKDM4ENPC1
SCHEMBL18200437 0.87 SCD (0.46) RAB9AKDM4ENPC1POLBALDH1A1
SCHEMBL18200657 0.87 BACE1 (0.43) BACE1BACE2RAB9AKDM4ENPC1
SCHEMBL17915286 0.86 BACE1 (0.49) BACE1BACE2RAB9AKDM4ENPC1
SCHEMBL18200933 0.85 BACE1 (0.45) BACE1BACE2RAB9AKDM4ENPC1
SCHEMBL18847032 0.84 BACE1 (0.42) BACE1BACE2RAB9AKDM4ENPC1

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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