SCHEMBL17405271

SCHEMBL17405271

c1ccc(-n2c3ccccc3c3c2c2oc4ccccc4c2c2c4ccccc4n(-c4ccc(-c5cccc(-c6ccccn6)n5)cc4)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALPL P05186 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ ALPI P09923 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL17405277 0.93 ALDH1A1 (0.35) KDM4ELMNASMN1; SMN2TP53L3MBTL1
SCHEMBL17405314 0.92 LMNA (0.34) KDM4ELMNASMN1; SMN2TP53L3MBTL1
SCHEMBL17405260 0.89 LMNA (0.33) KDM4ELMNASMN1; SMN2TP53L3MBTL1
SCHEMBL17405313 0.89 SMN1; SMN2 (0.34) KDM4ELMNASMN1; SMN2TP53L3MBTL1
SCHEMBL17405300 0.87 ALDH1A1 (0.34) KDM4ELMNASMN1; SMN2TP53L3MBTL1
SCHEMBL17405311 0.85 ALDH1A1 (0.34) KDM4ELMNASMN1; SMN2TP53L3MBTL1
SCHEMBL17405268 0.84 ALDH1A1 (0.31) KDM4ELMNASMN1; SMN2TP53MAPK1
SCHEMBL17406083 0.84 ALDH1A1 (0.35) KDM4ELMNASMN1; SMN2L3MBTL1ALPI
SCHEMBL17406087 0.84 ALDH1A1 (0.35) KDM4ELMNASMN1; SMN2L3MBTL1ALPI
SCHEMBL17405359 0.84 ALDH1A1 (0.35) KDM4ELMNASMN1; SMN2L3MBTL1ALPI

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 KDM4E 1073/4885LMNA 2015/4885SMN1; SMN2 3232/4885

“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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