SCHEMBL18698129

SCHEMBL18698129

c1ccc(-n2c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc3n3c4ccccc4nc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.36
TOP2A P11388 1/20 0.36
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 4/20 0.34
MGAM O43451 3/20 0.34
SI P14410 3/20 0.34
MGAM2 Q2M2H8 3/20 0.34
AHR P35869 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 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
SCHEMBL18687112 0.96 HPGD (0.37) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL18687133 0.92 ADORA2B (0.35) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL23652412 0.92 ADORA2B (0.35) HPGDKDM4EALDH1A1KMT2ATOP2A
SCHEMBL20448094 0.89 ALDH1A1 (0.37) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL18934348 0.86 TOP2A (0.41) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL20616762 0.86 TOP2A (0.41) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL18721573 0.85 GAA (0.33) HPGDKDM4EALDH1A1SMN1; SMN2TOP2A
SCHEMBL18698138 0.84 GAA (0.34) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL23652407 0.84 MGAM (0.34) HPGDKDM4ESMN1; SMN2TOP2AHTT
SCHEMBL30876355 0.83 TOP2A (0.40) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150604-B1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLYLYL GROUPS, CARBAZOLYL GROUPS, BENZOFURANE GROUPS OR BENZOTHIOPHENE GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO (JP) 2021-07-14 EP disclosed
US-20180277768-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLYL GROUPS, CARBAZOLYL GROUPS, DIBENZOFURANE GROUPS OR BENZOTHIOPHENE GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2018-09-27 US disclosed
EP-3150604-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) 2017-04-05 EP 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-20180277768-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLYL GROUPS, CARBAZOLYL GROUPS, DIBENZOFURANE GROUPS OR BENZOTHIOPHENE GROUPS FOR ORGANIC LIGHT EMITTING DIODES ALDH1A2, TRPA1, TRPV6 HPGD 4207/4885KDM4E 413/4885ALDH1A1 138/4885

“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.