SCHEMBL22449397

SCHEMBL22449397

O=[N+]([O-])c1ccc2c(c1)ncn2C1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.56
▸ MAPT P10636 3/20 0.53
▸ HPGD P15428 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ GAA P10253 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL22449395 0.94 ALDH1A1 (0.53) ALDH1A1MAPTHPGDPKMGAA
SCHEMBL17338776 0.90 FGFR1 (0.55) ALDH1A1MAPTHPGDPKMGAA
SCHEMBL1594855 0.89 ALDH1A1 (0.49) ALDH1A1MAPTHPGDPKMGAA
SCHEMBL7033971 0.84 FGFR1 (0.52) ALDH1A1MAPTHPGDGAAHSD17B10
Imidazole SCHEMBL28191367 0.82 ALDH1A1 (0.43) ALDH1A1MAPTHPGDPKMGAA
SCHEMBL1864820 0.80 HCAR1 (0.52) ALDH1A1MAPTHPGDGAAKMT2A
SCHEMBL20986012 0.77 PKM (0.58) ALDH1A1MAPTHPGDPKMGAA
SCHEMBL12075901 0.77 FGFR1 (0.48) ALDH1A1MAPTHPGDPKMGAA
SCHEMBL12075903 0.77 FGFR1 (0.48) ALDH1A1MAPTHPGDPKMGAA
SCHEMBL30896410 0.77 GAA (0.40) ALDH1A1MAPTHPGDPKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787420-B2 Benzimidazole compound and preparation method thereof SHANDONG ENGINEERING AND TECHNOLOGY INSTITUTE OF LUNAN COAL CHEMICAL ENGINEERING (CN) 2020-09-29 — — 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-10787420-B2 Benzimidazole compound and preparation method thereof NISCH, AZI2, HNMT ALDH1A1 1585/4885MAPT 3334/4885HPGD 2949/4885

“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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