SCHEMBL3202830

SCHEMBL3202830

CCC(CC)c1cccc2c1n(Cc1ccc(OC)cc1)c(=O)n2C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
P2RX4 Q99571 1/20 0.44
GAA P10253 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
TBXA2R P21731 1/20 0.40
TSPO P30536 1/20 0.40
CHRM1 P11229 1/20 0.40
FABP4 P15090 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RGS4 P49798 1/20 0.38

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
SCHEMBL3210071 0.88 MEN1 (0.54) MEN1KMT2AP2RX4GAAMAPK1
SCHEMBL3220778 0.77 MEN1 (0.43) MEN1KMT2AP2RX4GAAMAPK1
SCHEMBL3207858 0.77 ALDH1A1 (0.52) MEN1KMT2AGAAKDM4EL3MBTL1
SCHEMBL3221008 0.73 MEN1 (0.50) MEN1KMT2AP2RX4GAAMAPK1
SCHEMBL3210120 0.73 KDM4E (0.49) MEN1KMT2AP2RX4GAASMN1; SMN2
SCHEMBL11257792 0.67 MEN1 (0.64) MEN1KMT2AP2RX4GAAMAPK1
SCHEMBL3208581 0.66 ALDH1A1 (0.46) MEN1KMT2AP2RX4GAAMAPK1
SCHEMBL3927424 0.64 CNR2 (0.66) MEN1KMT2AP2RX4GAASMN1; SMN2
SCHEMBL11263773 0.64 MEN1 (0.72) MEN1KMT2AP2RX4GAAMAPK1
Trifluoroacetic Acid SCHEMBL31197678 0.63 MEN1 (0.58) MEN1KMT2AP2RX4GAAMAPK1

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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 MEN1 1490/4885KMT2A 2341/4885P2RX4 365/4885

“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.