SCHEMBL13808441

SCHEMBL13808441

CCNC(=O)c1ncn([C@H]2CCCC[C@]2(O)COCCCSC)c1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKT1 P31749 3/20 0.31
AKT2 P31751 3/20 0.31
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
PIN1 Q13526 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OGFRL1 Q5TC84 1/20 0.30

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
SCHEMBL4295929 0.88 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2AKT1AKT2
SCHEMBL4287810 0.79 USP19 (0.34) ALDH1A1LMNAHPGDSMN1; SMN2OPRM1
SCHEMBL4296996 0.79 CA1 (0.33)
SCHEMBL4288234 0.79 CA1 (0.33)
SCHEMBL4284585 0.79 CA1 (0.36)
Hydrochloric Acid SCHEMBL4281422 0.78 CA1 (0.36)
SCHEMBL4288953 0.76 USP19 (0.33) ALDH1A1AKT1AKT2OPRM1OPRK1
SCHEMBL4285101 0.74 OPRM1 (0.37) LMNACDK2CDK6OPRM1OPRK1
Hydrochloric Acid SCHEMBL4291397 0.74 CA1 (0.36)
SCHEMBL4292774 0.72 ALDH1A1 (0.41) ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885LMNA 1785/4885HPGD 106/4885

“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.