SCHEMBL20527922

SCHEMBL20527922

Nc1ccc(Br)cc1-n1c(=O)n(-c2ccccc2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPK8 P45983 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ NTRK3 Q16288 1/20 0.34
▸ NTRK2 Q16620 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
SCHEMBL18934612 0.88 ALDH1A1 (0.38) ALDH1A1L3MBTL1RXFP1MAPTPOLB
SCHEMBL18934568 0.84 GSK3A (0.41) ALDH1A1L3MBTL1KDM4EMAPK8HTR7
SCHEMBL18934549 0.83 GSK3A (0.40) ALDH1A1L3MBTL1KDM4EMAPK8HTR7
SCHEMBL18934355 0.82 NTRK1 (0.34) ALDH1A1L3MBTL1RXFP1MAPTKDM4E
SCHEMBL23652513 0.80 L3MBTL1 (0.36) ALDH1A1L3MBTL1RXFP1MAPTMEN1
SCHEMBL15396630 0.79 L3MBTL1 (0.44) ALDH1A1L3MBTL1RXFP1MEN1KMT2A
SCHEMBL15396400 0.79 GSK3A (0.45) L3MBTL1MAPTMEN1HTTKMT2A
SCHEMBL23652503 0.78 LMNA (0.42) ALDH1A1L3MBTL1RXFP1MAPTMEN1
SCHEMBL18934336 0.76 GAA (0.43) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL18934615 0.75 LMNA (0.53) ALDH1A1L3MBTL1RXFP1MAPTPOLB

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
EP-3356368-B1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLYL GROUPS, CARBAZOLYL GROUPS, BENZOFURANE GROUPS OR BENZOTHIOPHENE GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO (JP) 2021-07-21 — — EP disclosed
US-20180291028-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLYL GROUPS, CARBAZOLYL GROUPS, BENZOFURANE GROUPS OR BENZOTHIOPHENE GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2018-10-11 — — 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-20180291028-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLYL GROUPS, CARBAZOLYL GROUPS, BENZOFURANE GROUPS OR BENZOTHIOPHENE GROUPS FOR ORGANIC LIGHT EMITTING DIODES ALDH1A2, KCNJ2, KCNE1 ALDH1A1 122/4885L3MBTL1 1631/4885RXFP1 4565/4885

“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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