SCHEMBL12139167

SCHEMBL12139167

COC(=O)c1cc(CNc2cc(Oc3ccccc3)ccc2[N+](=O)[O-])ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B10 O60218 1/20 0.51
▸ AKR1B1 P15121 1/20 0.51
▸ AKR1C4 P17516 1/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ AKR1C2 P52895 1/20 0.51
▸ AKR1C1 Q04828 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ CRHBP P24387 2/20 0.48
▸ CRHR2 Q13324 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ABCB1 P08183 2/20 0.46
▸ ABCC1 P33527 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 2/20 0.45

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
SCHEMBL14878570 0.85 HDAC8 (0.53) HDAC8MAPTGAAHTTSMN1; SMN2
SCHEMBL8009994 0.84 HDAC8 (0.54) HDAC8KMT2AMAPTGAAHTT
SCHEMBL12139195 0.84 HDAC8 (0.52) HDAC8KMT2AMEN1MAPTCRHBP
SCHEMBL2698732 0.78 MAPT (0.58) HDAC8KMT2AMEN1MAPTCRHBP
SCHEMBL12100638 0.77 MAPT (0.58) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL2724028 0.76 TDP1 (0.62) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL3514437 0.76 CYP2C9 (0.56) KMT2AMEN1MAPTGAAHTT
SCHEMBL6474847 0.75 HTR6 (0.58) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL8012083 0.74 HDAC8 (0.50) HDAC8KMT2AMEN1MAPTCRHBP
SCHEMBL6400130 0.74 MAPT (0.50) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2

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-8426607-B2 Substituted amino-benzimidazoles, medicaments comprimising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-23 — — US disclosed
US-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 — — 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-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE PSEN1, AADAT, PSEN2 AKR1B10 533/4885AKR1B1 660/4885AKR1C4 1219/4885

“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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