SCHEMBL5454910

SCHEMBL5454910

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
NR2F2 P24468 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SRC P12931 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TGM2 P21980 1/20 0.37
ALDH1A1 P00352 4/20 0.37

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
SCHEMBL5457165 0.81 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1
SCHEMBL2666534 0.81 SMN1; SMN2 (0.47) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL5459715 0.80 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1
SCHEMBL2662739 0.79 HCRTR1 (0.42) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL2660823 0.77 MEN1 (0.30) MEN1KMT2A
SCHEMBL8763062 0.67 POLB (0.50) MEN1KMT2APOLBKDM4ENPC1
SCHEMBL8763056 0.67 POLB (0.50) MEN1KMT2APOLBKDM4ENPC1
SCHEMBL8135502 0.65 KMT2A (0.51) KMT2ARAB9AALDH1A1
SCHEMBL26102489 0.63 HRH3 (0.52) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL8330990 0.63 ALDH1A1 (0.62) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19

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 1 patent. 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

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 MDM2 2957/4885MEN1 4622/4885KMT2A 3643/4885

“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.