SCHEMBL12487010

SCHEMBL12487010

COc1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 7/20 0.79
▸ WDR77 Q9BQA1 7/20 0.79
▸ ALDH1A1 P00352 6/20 0.75
▸ LMNA P02545 2/20 0.75
▸ MPO P05164 1/20 0.72
▸ KCNH2 Q12809 1/20 0.66
▸ MAPT P10636 6/20 0.64
▸ MEN1 O00255 5/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ HTT P42858 3/20 0.64
▸ GAA P10253 1/20 0.61
▸ PLA2G1B P04054 1/20 0.60
▸ ATG4B Q9Y4P1 1/20 0.60
▸ FPR2 P25090 2/20 0.60
▸ POLB P06746 1/20 0.59
▸ HPGD P15428 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL12486443 0.89 PRMT5 (0.69) PRMT5WDR77ALDH1A1LMNAKCNH2
SCHEMBL12486391 0.84 MPO (1.00) PRMT5WDR77ALDH1A1LMNAMPO
SCHEMBL6210308 0.83 KCNH2 (0.84) PRMT5WDR77ALDH1A1LMNAKCNH2
SCHEMBL12485915 0.83 KCNH2 (0.80) PRMT5WDR77ALDH1A1LMNAKCNH2
SCHEMBL12486403 0.80 MAPT (0.77) PRMT5WDR77ALDH1A1LMNAMPO
SCHEMBL12487081 0.80 KCNH2 (1.00) PRMT5WDR77ALDH1A1LMNAKCNH2
SCHEMBL12485902 0.78 KCNH2 (0.75) PRMT5WDR77ALDH1A1LMNAKCNH2
SCHEMBL12487161 0.78 KCNH2 (0.75) PRMT5WDR77ALDH1A1LMNAKCNH2
SCHEMBL12486442 0.78 KCNH2 (0.75) PRMT5WDR77ALDH1A1LMNAKCNH2
SCHEMBL12486533 0.76 THRB (0.72) PRMT5WDR77ALDH1A1LMNAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066454-A1 Antibiotic Tolerance Inhibitors INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2014-03-06 — — US claimed
EP-2678319-A2 ANTIBIOTIC TOLERANCE INHIBITORS The General Hospital Corporation (US) 2014-01-01 — — EP claimed
WO-2012116010-A2 ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2012-08-30 — — WO claimed
US-20150266827-A1 Antibiotic Tolerance Inhibitors THE GENERAL HOSPITAL CORPORATION 2015-09-24 — — US disclosed
US-8877940-B2 Antibiotic tolerance inhibitors INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2014-11-04 — — US disclosed
US-20140066454-A1 Antibiotic Tolerance Inhibitors INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2014-03-06 — — US disclosed
EP-2678319-A2 ANTIBIOTIC TOLERANCE INHIBITORS The General Hospital Corporation (US) 2014-01-01 — — EP disclosed
WO-2012116010-A2 ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2012-08-30 — — 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 (2 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-20150266827-A1 Antibiotic Tolerance Inhibitors CLPP, CFTR, AADAC PRMT5 3247/4885WDR77 4706/4885ALDH1A1 1458/4885
US-20140066454-A1 Antibiotic Tolerance Inhibitors CLPP, CFTR, AADAC PRMT5 3247/4885WDR77 4706/4885ALDH1A1 1458/4885

“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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