SCHEMBL3210120

SCHEMBL3210120

CCC(CC)c1cccc2[nH]c(=O)n(Cc3ccc(OC)cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
OPRM1 P35372 1/20 0.42
P2RX4 Q99571 1/20 0.41
TP53 P04637 2/20 0.41
USP1 O94782 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 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
SCHEMBL3221008 0.81 MEN1 (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3208581 0.81 ALDH1A1 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL30770900 0.78 ALDH1A1 (0.51) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2084761 0.76 ADORA3 (0.42) MEN1KMT2ALMNA
SCHEMBL3746600 0.74 CYP1A2 (0.39) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL3207595 0.74 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3202830 0.73 MEN1 (0.53) KDM4EMEN1KMT2AGAAHTT
SCHEMBL3202684 0.73 MPO (0.44) ALDH1A1MEN1KMT2A
SCHEMBL7593290 0.73 MEN1 (0.77) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3220778 0.72 MEN1 (0.43) MEN1KMT2AGAAP2RX4USP1

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 KDM4E 2626/4885ALDH1A1 1562/4885MAPT 4830/4885

“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.