SCHEMBL19978766

SCHEMBL19978766

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7cnccc67)c5c43)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ GSK3B P49841 2/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ MET P08581 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KCNA3 P22001 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GLA P06280 1/20 0.33

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
SCHEMBL20988521 0.89 ALDH1A1 (0.38) LMNAKDM4EGSK3BALDH1A1TSHR
SCHEMBL12265007 0.86 ALDH1A1 (0.38) LMNAKDM4EGSK3BALDH1A1MEN1
SCHEMBL18058084 0.85 KDM4E (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18059334 0.84 KDM4E (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18057986 0.84 KDM4E (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20988433 0.83 ALDH1A1 (0.40) LMNAKDM4EALDH1A1POLBMEN1
SCHEMBL21398001 0.83 KDM4E (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21397973 0.83 KDM4E (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18058107 0.83 MEN1 (0.31) CYP1A2CYP3A4CYP2D6CYP2C9LMNA
SCHEMBL18058241 0.83 KDM4E (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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
EP-3279961-B1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MAT CO LTD (JP) 2023-07-19 — — EP disclosed
US-20200411772-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2020-12-31 — — US disclosed
US-20180083201-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2018-03-22 — — US disclosed
US-20180083201-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2018-03-22 — — 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-20180083201-A1 ORGANIC ELECTROLUMINESCENT ELEMENT ELF3, LAGE3, ILF3 TNF 4505/4885CYP1A2 513/4885CYP3A4 406/4885

“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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