SCHEMBL6488028

SCHEMBL6488028

COC(=O)c1ccccc1OCc1cc(C)c2nc(C)n(Cc3ccc(-c4ccccc4)cc3Cl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.40
AGTR2 P50052 8/20 0.40
VDR P11473 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DHODH Q02127 1/20 0.37
MRGPRX4 Q96LA9 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
SCHEMBL6493027 0.93 MCL1 (0.43) AGTR1AGTR2DHODHMRGPRX4
SCHEMBL6491233 0.91 MRGPRX4 (0.40) VDRDCTPP1KDM4ENPC1ALDH1A1
SCHEMBL6487408 0.88 DCTPP1 (0.38) AGTR1AGTR2VDRDCTPP1KDM4E
SCHEMBL6489503 0.86 CYSLTR1 (0.42) VDRDCTPP1SMN1; SMN2DHODHMRGPRX4
SCHEMBL6498787 0.85 BCL2 (0.40) AGTR1AGTR2DCTPP1
SCHEMBL6491685 0.84 FABP3 (0.46) SMN1; SMN2MRGPRX4
SCHEMBL6488551 0.84 PIK3C2B (0.39) AGTR1AGTR2DHODH
SCHEMBL6488163 0.83 PIK3C2B (0.37) AGTR1AGTR2DCTPP1DHODH
SCHEMBL6498198 0.82 DCTPP1 (0.47) DCTPP1NPC1RAB9ASMN1; SMN2
SCHEMBL6501530 0.82 GABRA1 (0.39) AGTR1AGTR2DCTPP1DHODH

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-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD AGTR1 2045/4885AGTR2 2247/4885VDR 2245/4885

“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.