SCHEMBL1482823

SCHEMBL1482823

COC(=O)CCc1ccc(Cn2c(-c3cccnc3OCc3ccc(OC)cc3)nc3cc(F)c(F)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
TP53 P04637 6/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.41
P2RX3 P56373 1/20 0.40
ENPP2 Q13822 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
VDR P11473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1482727 0.88 MAPT (0.40) THRBTP53MAPTLMNAP2RX3
SCHEMBL1482791 0.87 HTT (0.47) TP53MAPTLMNAHTTCYP11B2
SCHEMBL1483667 0.86 KDM4E (0.39) MAPTP2RX3SMN1; SMN2
SCHEMBL1482358 0.86 FFAR4 (0.41) THRBTP53MAPTLMNAP2RX3
SCHEMBL1482428 0.85 MAPT (0.52) THRBTP53MAPTLMNAP2RX3
SCHEMBL1482734 0.85 MAPT (0.42) THRBTP53MAPTLMNAHTT
SCHEMBL1482689 0.84 FFAR4 (0.41) THRBTP53MAPTLMNAP2RX3
SCHEMBL1482654 0.84 DCTPP1 (0.42) THRBTP53MAPTLMNAHTT
SCHEMBL1482532 0.83 TSHR (0.39) MAPTP2RX3
SCHEMBL1482479 0.82 DRD2 (0.47) THRBTP53MAPTHTTALDH1A1

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-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 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-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 THRB 2083/4885TP53 1762/4885MAPT 3349/4885

“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.