SCHEMBL3221008

SCHEMBL3221008

CCC(CC)c1cccc2c1[nH]c(=O)n2Cc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
P2RX4 Q99571 1/20 0.47
TLR7 Q9NYK1 1/20 0.45
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR6 P50406 2/20 0.44
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
GABRA5 P31644 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL3210120 0.81 KDM4E (0.49) MEN1KMT2AALDH1A1MAPTP2RX4
SCHEMBL3208581 0.78 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTP2RX4
SCHEMBL3665042 0.74 POLB (0.44) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL3202830 0.73 MEN1 (0.53) MEN1KMT2AP2RX4KDM4EPOLB
SCHEMBL8348004 0.73 P2RX4 (0.68) MEN1KMT2AALDH1A1MAPTP2RX4
SCHEMBL31189203 0.73 P2RX4 (0.68) MEN1KMT2AALDH1A1MAPTP2RX4
SCHEMBL21050850 0.72 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTP2RX4
SCHEMBL3220778 0.72 MEN1 (0.43) MEN1KMT2AP2RX4POLBGAA
SCHEMBL3210071 0.70 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTP2RX4
SCHEMBL22753902 0.70 USP2 (0.46) ALDH1A1MAPTKDM4EGRIN1GRIN2B

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 3 patents. 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
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 MEN1 1490/4885KMT2A 2341/4885ALDH1A1 1562/4885

“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.