SCHEMBL20616731

SCHEMBL20616731

Cc1ccc2c(-c3cccc(-c4cc(C)cc5c(-c6ccccc6)nc(-c6ccccc6)nc45)c3)nc(-c3ccccc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WHR1 P49842 1/20 0.44
▸ MAPT P10636 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ PSMB5 P28074 1/20 0.38
▸ NR1I3 Q14994 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP1 P29466 1/20 0.37

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
SCHEMBL22725172 0.84 WHR1 (0.50) WHR1MAPTALDH1A1KDM4ELMNA
SCHEMBL18456158 0.83 WHR1 (0.59) WHR1MAPTALDH1A1KDM4ELMNA
SCHEMBL18698080 0.77 KDM4E (0.69) WHR1MAPTALDH1A1KDM4ELMNA
SCHEMBL20616744 0.76 WHR1 (0.51) WHR1MAPTALDH1A1KDM4ELMNA
SCHEMBL12136806 0.74 NR1I3 (0.62) WHR1MAPTALDH1A1LMNAMEN1
SCHEMBL24689754 0.73 MEN1 (0.58) WHR1MAPTALDH1A1KDM4ELMNA
SCHEMBL28147454 0.73 ALDH1A1 (0.48) WHR1MAPTALDH1A1KDM4ELMNA
SCHEMBL16436628 0.72 MEN1 (0.46) WHR1MAPTALDH1A1KDM4ELMNA
SCHEMBL18874582 0.72 ATM (0.56) WHR1MAPTALDH1A1KDM4ELMNA
SCHEMBL24689813 0.71 MEN1 (0.58) WHR1MAPTL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174258-B2 Benzimidazolo[1,2-a]benzimidazole derivatives for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2021-11-16 — — US disclosed
US-20190002469-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2019-01-03 — — 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 (2 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-11174258-B2 Benzimidazolo[1,2-a]benzimidazole derivatives for organic light emitting diodes KCNH2, KCNH3, KCNJ2 WHR1 3311/4885MAPT 2580/4885ALDH1A1 397/4885
US-20190002469-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ORGANIC LIGHT EMITTING DIODES KCNH2, KCNH3, KCNJ2 WHR1 3311/4885MAPT 2580/4885ALDH1A1 397/4885

“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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