SCHEMBL17405279

SCHEMBL17405279

c1ccc(-n2c3ccccc3c3c2c2oc4ccccc4c2c2c4ccccc4n(-c4ccc(-c5cn6ccccc6n5)cc4)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 15/20 0.42
▸ NPC1 O15118 14/20 0.42
▸ KDM4E B2RXH2 11/20 0.42
▸ POLB P06746 2/20 0.42
▸ GFER P55789 3/20 0.41
▸ PKM P14618 7/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A1 P00352 10/20 0.39
▸ SMN1; SMN2 Q16637 9/20 0.39
▸ MAPT P10636 7/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MIF P14174 1/20 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
SCHEMBL17405298 0.92 BACE1 (0.40) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL17451677 0.91 RAB9A (0.43) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL17405309 0.89 RAB9A (0.42) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL17405254 0.87 ALDH1A1 (0.49) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL17451714 0.86 RAB9A (0.51) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL15930303 0.83 RAB9A (0.44) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL15930305 0.83 RAB9A (0.44) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL19841356 0.83 SMN1; SMN2 (0.32) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL15930308 0.82 RAB9A (0.44) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL15930311 0.82 RAB9A (0.45) RAB9ANPC1KDM4EPOLBGFER

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-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-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 RAB9A 3477/4885NPC1 3563/4885KDM4E 1073/4885

“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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