SCHEMBL3055358

SCHEMBL3055358

CN(C(=O)c1ccc2ccccc2c1)C(CCN)Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.47
PIN1 Q13526 2/20 0.42
F2 P00734 3/20 0.41
F10 P00742 2/20 0.41
F7 P08709 2/20 0.41
ACHE P22303 1/20 0.41
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 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
SCHEMBL3055134 1.00 MAPK14 (0.47) MAPK14PIN1F2F10F7
SCHEMBL3058126 0.91 ACHE (0.47) PIN1F2F10F7ACHE
SCHEMBL3055262 0.91 ACHE (0.47) PIN1F2F10F7ACHE
SCHEMBL3050028 0.91 ACHE (0.47) PIN1F2F10F7ACHE
SCHEMBL3047608 0.89 MEN1 (0.47) F2F10F7ACHERAB9A
SCHEMBL3047611 0.89 MEN1 (0.47) F2F10F7ACHERAB9A
SCHEMBL3055357 0.87 MAPK14 (0.47) MAPK14PIN1F2F10F7
SCHEMBL3055132 0.87 MAPK14 (0.47) MAPK14PIN1F2F10F7
SCHEMBL3050474 0.86 TDP1 (0.41) KMT2A
SCHEMBL3053958 0.86 TDP1 (0.41) KMT2A

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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US claimed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 MAPK14 796/4885PIN1 692/4885F2 2199/4885

“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.