SCHEMBL6371197

SCHEMBL6371197

COc1ccc([N+](=O)[O-])c(SC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ G6PD P11413 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ ALDH1A1 P00352 7/20 0.49
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ AKR1C3 P42330 2/20 0.44
▸ AKR1C2 P52895 2/20 0.44
▸ AKR1B10 O60218 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ AKR1C4 P17516 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ MERTK Q12866 1/20 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
SCHEMBL15082105 0.86 ALDH1A1 (0.53) MAPK1MAPTKDM4EKMT2AMEN1
SCHEMBL19033182 0.85 MAPT (0.50) MAPK1MAPTKDM4EKMT2AMEN1
SCHEMBL5005311 0.82 MAPT (0.63) MAPK1MAPTKMT2AMEN1PKM
SCHEMBL14866257 0.82 MAPT (0.48) MAPK1MAPTKDM4EKMT2AMEN1
SCHEMBL21444940 0.81 AKR1C3 (0.49) MAPK1MAPTKDM4EKMT2AMEN1
SCHEMBL1662886 0.80 ALDH1A1 (0.65) MAPK1MAPTKDM4EKMT2AMEN1
SCHEMBL29397856 0.79 PDE7A (0.45) MAPK1MAPTKDM4EKMT2AMEN1
SCHEMBL28708361 0.79 PDE7A (0.45) MAPK1MAPTKDM4EKMT2AMEN1
SCHEMBL20150186 0.78 TSHR (0.64) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11199415 0.78 ALDH1A1 (0.54) MAPK1MAPTKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 — — US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 — — US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 — — US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 — — US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 — — 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 (4 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 MAPK1 788/4885MAPT 1550/4885KDM4E 2914/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 MAPK1 788/4885MAPT 1550/4885KDM4E 2914/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 MAPK1 788/4885MAPT 1550/4885KDM4E 2914/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 MAPK1 1620/4885MAPT 1395/4885KDM4E 2407/4885

“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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