SCHEMBL3213604

SCHEMBL3213604

COc1cc(OC)cc(C(=O)NC2CCCC(c3nc4ccc(OC)cc4[nH]3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
FLT3 P36888 1/20 0.49
HPGDS O60760 4/20 0.47
GRM5 P41594 2/20 0.47
CXCR6 O00574 1/20 0.44
MCHR1 Q99705 1/20 0.44
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL13490307 0.93 NPC1 (0.51) MEN1KMT2AFLT3HPGDSGRM5
SCHEMBL13490421 0.92 MEN1 (0.48) MEN1KMT2AFLT3HPGDSGRM5
SCHEMBL3222191 0.92 GRM5 (0.52) MEN1KMT2AFLT3GRM5CXCR6
SCHEMBL13490319 0.92 MEN1 (0.48) MEN1KMT2AFLT3HPGDSGRM5
SCHEMBL3217312 0.92 MEN1 (0.48) MEN1KMT2AFLT3HPGDSGRM5
SCHEMBL13490309 0.91 MEN1 (0.47) MEN1KMT2AFLT3HPGDSGRM5
SCHEMBL13490618 0.90 MEN1 (0.54) MEN1KMT2AGRM5CXCR6MCHR1
SCHEMBL13490741 0.90 MEN1 (0.54) MEN1KMT2AGRM5CXCR6MCHR1
SCHEMBL13490372 0.90 MEN1 (0.54) MEN1KMT2AGRM5CXCR6MCHR1
SCHEMBL14192268 0.90 MEN1 (0.54) MEN1KMT2AGRM5CXCR6MCHR1

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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US disclosed
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US disclosed
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES ACIN1, HAT1, CCNE1 MEN1 2892/4885KMT2A 1782/4885FLT3 711/4885

“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.