SCHEMBL17405298

SCHEMBL17405298

c1ccc(-n2c3ccccc3c3c2c2oc4ccccc4c2c2c4ccccc4n(-c4cccc(-c5cn6ccccc6n5)c4)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ RAB9A P51151 11/20 0.39
▸ KDM4E B2RXH2 11/20 0.39
▸ ALDH1A1 P00352 10/20 0.39
▸ SMN1; SMN2 Q16637 9/20 0.39
▸ NPC1 O15118 9/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ POLB P06746 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ GFER P55789 2/20 0.39
▸ GAA P10253 3/20 0.38

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
SCHEMBL17405279 0.92 RAB9A (0.42) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL17405250 0.88 BACE1 (0.36) BACE1BACE2RAB9AKDM4EALDH1A1
SCHEMBL19841356 0.87 SMN1; SMN2 (0.32) BACE1BACE2RAB9AKDM4EALDH1A1
SCHEMBL17405309 0.86 RAB9A (0.42) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL16275375 0.86 BACE1 (0.36) BACE1BACE2RAB9AKDM4EALDH1A1
SCHEMBL15930476 0.84 CASP3 (0.41) BACE1BACE2RAB9AKDM4EALDH1A1
SCHEMBL15930517 0.84 CASP3 (0.41) BACE1BACE2RAB9AKDM4EALDH1A1
SCHEMBL15930439 0.83 CASP3 (0.41) BACE1BACE2RAB9AKDM4EALDH1A1
SCHEMBL15930454 0.83 CASP3 (0.42) BACE1BACE2RAB9AKDM4EALDH1A1
SCHEMBL17451677 0.83 RAB9A (0.43) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 — — US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 — — US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 — — 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-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 BACE1 1344/4885BACE2 1745/4885RAB9A 3477/4885

“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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