SCHEMBL5456554

SCHEMBL5456554

O=C(CSC1C2=C(CCCC2)C(=O)N1Cc1ccc2ccsc2c1)Nc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL2666668 0.94 HCRTR1 (0.39) KMT2ATP53MEN1USP2HPGD
SCHEMBL5464656 0.86 TDP1 (0.39) KMT2ATP53MEN1USP2HPGD
SCHEMBL2656882 0.85 ADORA2A (0.34) KMT2AMEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL5464651 0.84 ALDH1A1 (0.38) KMT2ATP53MEN1USP2HPGD
SCHEMBL2666863 0.84 HTT (0.41) KMT2ATP53MEN1ALDH1A1TDP1
SCHEMBL14507622 0.83 KMT2A (0.40) KMT2ATP53MEN1ALDH1A1TDP1
SCHEMBL2666690 0.82 ALDH1A1 (0.38) KMT2ATP53MEN1ALDH1A1TDP1
SCHEMBL2666539 0.82 MEN1 (0.43) KMT2ATP53MEN1HPGDHSD17B10
SCHEMBL2662132 0.82 KMT2A (0.41) KMT2ATP53MEN1ALDH1A1TDP1
SCHEMBL2666711 0.81 ALDH1A1 (0.45) KMT2AMEN1HPGDALDH1A1TDP1

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-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US claimed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 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-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase GCKR, GCK, GALK1 KMT2A 3643/4885TP53 4167/4885MEN1 4622/4885

“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.