SCHEMBL12487224

SCHEMBL12487224

O=C(CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.66
▸ ALDH1A1 P00352 12/20 0.66
▸ POLB P06746 3/20 0.66
▸ KCNH2 Q12809 1/20 0.65
▸ LMNA P02545 6/20 0.64
▸ MAPK1 P28482 4/20 0.64
▸ TP53 P04637 2/20 0.64
▸ USP2 O75604 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ MEN1 O00255 6/20 0.63
▸ KMT2A Q03164 6/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ HTT P42858 5/20 0.60
▸ PLA2G1B P04054 1/20 0.59
▸ ATG4B Q9Y4P1 1/20 0.59
▸ RECQL P46063 1/20 0.57

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
SCHEMBL2184601 0.93 MAPT (0.64) MAPTALDH1A1POLBKCNH2LMNA
SCHEMBL12485902 0.83 KCNH2 (0.75) MAPTALDH1A1KCNH2LMNAMAPK1
SCHEMBL12486442 0.83 KCNH2 (0.75) MAPTALDH1A1KCNH2LMNAMAPK1
SCHEMBL12487161 0.83 KCNH2 (0.75) MAPTALDH1A1KCNH2LMNAMAPK1
SCHEMBL12486403 0.83 MAPT (0.77) MAPTALDH1A1POLBKCNH2LMNA
SCHEMBL6210308 0.83 KCNH2 (0.84) MAPTALDH1A1POLBKCNH2LMNA
SCHEMBL12486533 0.80 THRB (0.72) MAPTALDH1A1KCNH2LMNAMAPK1
SCHEMBL12485915 0.80 KCNH2 (0.80) MAPTALDH1A1POLBKCNH2LMNA
SCHEMBL16208427 0.80 MAPT (0.69) MAPTALDH1A1POLBLMNAMAPK1
SCHEMBL20679555 0.80 ALDH1A1 (0.66) MAPTALDH1A1POLBLMNAMAPK1

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 MAPT 3775/4885ALDH1A1 1458/4885POLB 1761/4885
US-20140066454-A1 Antibiotic Tolerance Inhibitors CLPP, CFTR, AADAC MAPT 3775/4885ALDH1A1 1458/4885POLB 1761/4885

“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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