SCHEMBL3202684

SCHEMBL3202684

CCC(CC)c1cccc2[nH]c(=O)n(CCN(C)C)c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.44
HAVCR2 Q8TDQ0 1/20 0.42
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
XDH P47989 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR1A P08908 5/20 0.36
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
CCR4 P51679 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
SCHEMBL739564 0.80 DAO (0.53) MPOHAVCR2CYP1A2MEN1KMT2A
SCHEMBL2084761 0.79 ADORA3 (0.42) CYP1A2MEN1KMT2ADRD2DRD3
SCHEMBL3746600 0.78 CYP1A2 (0.39) CYP1A2MEN1KMT2AALDH1A1HTR1A
SCHEMBL3207595 0.78 KDM4E (0.39) CYP1A2MEN1KMT2AALDH1A1
SCHEMBL3199526 0.78 PDE4A (0.35) MPOHAVCR2MEN1KMT2AALDH1A1
SCHEMBL8471506 0.73 CYP1A2 (0.43) CYP1A2MEN1KMT2ARAB9ADRD2
SCHEMBL3210120 0.73 KDM4E (0.49) MEN1KMT2AALDH1A1
SCHEMBL4419395 0.72 MEN1 (0.63) MPOHAVCR2CYP1A2MEN1KMT2A
SCHEMBL8471574 0.71 CYP1A2 (0.41) CYP1A2MEN1KMT2ADRD2DRD3
SCHEMBL8471302 0.71 CYP1A2 (0.41) CYP1A2MEN1KMT2ADRD2DRD3

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 MPO 3115/4885HAVCR2 2191/4885CYP1A2 696/4885

“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.