SCHEMBL4286998

SCHEMBL4286998

N#Cc1ccccc1OC[C@@H]1CN(C(=O)O)CCN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.43
THRB P10828 1/20 0.43
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA9 Q16790 4/20 0.41
MAPT P10636 1/20 0.41
ADRB1 P08588 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3494616 0.83 HRH3 (0.46) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3495418 0.78 MAOB (0.48) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL4290964 0.78 CA1 (0.44) ALDH1A1CA1CA2CA4CA9
SCHEMBL4293977 0.77 FAAH (0.42) ALDH1A1CA1CA2CA4CA9
SCHEMBL4976543 0.76 CA1 (0.50) ALDH1A1CA1CA2CA4CA9
SCHEMBL3495972 0.76 SIGMAR1 (0.54) ALDH1A1CA1CA2CA4CA9
SCHEMBL27533150 0.76 CA1 (0.63) CA1CA2CA4CA9
SCHEMBL4971104 0.76 SIGMAR1 (0.54) ALDH1A1CA1CA2CA4CA9
SCHEMBL20974922 0.76 SIGMAR1 (0.54) ALDH1A1CA1CA2CA4CA9
SCHEMBL3491866 0.75 LMNA (0.51) MEN1KMT2A

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TP53 2535/4885MEN1 1254/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TP53 2535/4885MEN1 1254/4885KMT2A 1049/4885

“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.