SCHEMBL2666534

SCHEMBL2666534

O=C(CSC1C2=C(CCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1)Nc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 6/20 0.45
NPC1 O15118 4/20 0.45
MEN1 O00255 4/20 0.45
RAB9A P51151 3/20 0.45
PKM P14618 2/20 0.45
STAT1 P42224 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL2666863 0.89 HTT (0.41) ALDH1A1LMNAKMT2AMEN1TP53
SCHEMBL14507622 0.88 KMT2A (0.40) ALDH1A1KMT2AMEN1TP53TDP1
SCHEMBL2666711 0.85 ALDH1A1 (0.45) SMN1; SMN2MAPTALDH1A1KMT2ANPC1
SCHEMBL2666573 0.85 ALDH1A1 (0.45) SMN1; SMN2MAPTALDH1A1KMT2ANPC1
SCHEMBL2662132 0.84 KMT2A (0.41) SMN1; SMN2ALDH1A1LMNAKMT2ANPC1
SCHEMBL5464656 0.82 TDP1 (0.39) SMN1; SMN2MAPTALDH1A1KMT2ANPC1
SCHEMBL2666539 0.82 MEN1 (0.43) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL5454910 0.81 MDM2 (0.41) SMN1; SMN2ALDH1A1KMT2ANPC1MEN1
SCHEMBL2666668 0.80 HCRTR1 (0.39) SMN1; SMN2ALDH1A1LMNAKMT2ANPC1
SCHEMBL5464651 0.80 ALDH1A1 (0.38) SMN1; SMN2MAPTALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
WO-2007053765-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 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-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase GCKR, GCK, GALK1 SMN1; SMN2 4653/4885MAPT 3841/4885ALDH1A1 2410/4885

“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.