SCHEMBL15317942

SCHEMBL15317942

COc1ccc(NC(=O)[C@@H](C)CCCCN)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ SUV39H2 Q9H5I1 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ C5 P01031 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL19445719 0.91 KLKB1 (0.41) LMNAMEN1KMT2AHSD17B10TSHR
SCHEMBL13815084 0.88 SUV39H2 (0.51) LMNAMEN1KMT2ASUV39H2AAK1
SCHEMBL15782431 0.87 LMNA (0.42) LMNAMEN1KMT2ASMN1; SMN2SUV39H2
SCHEMBL13815099 0.85 AAK1 (0.48) LMNAMEN1KMT2ASUV39H2AAK1
SCHEMBL10199166 0.85 FFAR1 (0.41) TSHR
SCHEMBL13973873 0.84 LMNA (0.42) LMNAMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL19445181 0.84 MMP2 (0.42) LMNAMEN1KMT2AHSD17B10MAPT
SCHEMBL15782432 0.83 LMNA (0.43) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL19445576 0.83 SUV39H2 (0.40) LMNAMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL10260677 0.82 KLKB1 (0.41) LMNAMEN1KMT2ATSHRAAK1

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-8946475-B2 Processes for preparing a polymeric compound CELLCEUTIX CORPORATION (US) 2015-02-03 — — US disclosed
US-20130274502-A1 Processes For Preparing A Polymeric Compound POLYMEDIX, INC. (US) 2013-10-17 — — 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-20130274502-A1 Processes For Preparing A Polymeric Compound F12, ALG1, ABCB11 LMNA 3036/4885MEN1 445/4885KMT2A 3278/4885

“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.

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