SCHEMBL16407371

SCHEMBL16407371

Clc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I3 Q14994 1/20 0.40
▸ PDE5A O76074 4/20 0.39
▸ ABCG2 Q9UNQ0 4/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ DPP4 P27487 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ LMNA P02545 1/20 0.36

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
SCHEMBL25823526 0.93 ALDH1A1 (0.44) MAPK1L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL18878321 0.90 ALDH1A1 (0.42) MAPK1L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL16407281 0.90 ALDH1A1 (0.42) MAPK1L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL18878327 0.90 ALDH1A1 (0.42) MAPK1L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL16407283 0.88 ALDH1A1 (0.48) MAPK1L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL18327642 0.88 L3MBTL1 (0.41) MAPK1L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL19271444 0.87 ALDH1A1 (0.42) MAPK1L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL23546686 0.86 ALDH1A1 (0.44) NR1I3MAPK1L3MBTL1ALDH1A1HPGD
SCHEMBL12726410 0.86 KEAP1 (0.47) MAPK1L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL25823620 0.85 L3MBTL1 (0.41) MAPK1L3MBTL1ALDH1A1HPGDTSHR

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-3744155-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-11-02 — — EP disclosed
US-20210111351-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-15 — — US disclosed
WO-2019145316-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-08-01 — — WO disclosed
WO-2015008866-A1 TRIAZINE COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAME 東ソー株式会社 (JP) 2015-01-22 — — WO 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-20210111351-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM NR1I3 3550/4885PDE5A 3854/4885ABCG2 2451/4885

“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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