SCHEMBL1272136

SCHEMBL1272136

COc1cccc(-c2ccc(N)c(N)c2C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.46
▸ AKR1C3 P42330 2/20 0.45
▸ AKR1C2 P52895 2/20 0.45
▸ AKR1C4 P17516 1/20 0.45
▸ AKR1C1 Q04828 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP3A4 P08684 3/20 0.43
▸ CYP1A1 P04798 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2E1 P05181 2/20 0.43
▸ CYP2C8 P10632 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2A6 P11509 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP4B1 P13584 2/20 0.43
▸ CYP2B6 P20813 2/20 0.43
▸ CYP3A5 P20815 2/20 0.43
▸ CYP2A7 P20853 2/20 0.43

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
SCHEMBL1272800 0.82 KDM4E (0.42) MAPTL3MBTL1CYP3A4PGRAR
SCHEMBL1272147 0.79 NR1H2 (0.54) —
SCHEMBL1272231 0.78 ALDH1A1 (0.40) NPSR1MAPTL3MBTL1CYP3A4CYP1A2
SCHEMBL28285112 0.77 AKR1C3 (0.51) TDO2AKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL1272538 0.77 HSP90AA1 (0.45) NPSR1MAPTL3MBTL1CYP3A4CYP1A2
SCHEMBL3490386 0.77 TDO2 (0.54) TDO2MAPTCYP3A4CYP1A1CYP1A2
SCHEMBL27771054 0.76 HSD17B10 (0.43) TDO2MAPTL3MBTL1CYP3A4KDM4E
SCHEMBL1272193 0.76 HSP90AA1 (0.44) NPSR1MAPTL3MBTL1CYP3A4CYP1A2
SCHEMBL9003875 0.76 TDO2 (0.50) TDO2MAPTCYP3A4CYP1A1CYP1A2
SCHEMBL28255761 0.75 TDO2 (0.55) TDO2MAPTCYP3A4CYP1A1CYP1A2

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
US-20110034526-A1 Benzimidazole Compounds WYETH LLC (US) 2011-02-10 — — US disclosed
EP-2231617-A1 BENZIMIDAZOLE COMPOUNDS Wyeth LLC (US) 2010-09-29 — — EP disclosed
WO-2009086138-A1 BENZIMIDAZOLE COMPOUNDS WYETH (US) 2009-07-09 — — WO 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-20110034526-A1 Benzimidazole Compounds NR1H4, NR1H2, NR1H3 TDO2 3923/4885AKR1C3 184/4885AKR1C2 287/4885

“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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