SCHEMBL12334895

SCHEMBL12334895

O=C(NCCCCCCCOc1ccccc1-c1ccccc1)NCc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FES P07332 1/20 0.67
▸ RET P07949 1/20 0.67
▸ MARK3 P27448 1/20 0.67
▸ TYK2 P29597 1/20 0.67
▸ FLT4 P35916 1/20 0.67
▸ SYK P43405 1/20 0.67
▸ CLK2 P49760 1/20 0.67
▸ CLK4 Q9HAZ1 1/20 0.67
▸ HTT P42858 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ NAMPT P43490 4/20 0.53
▸ EPHX1 P07099 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ PTAFR P25105 2/20 0.48
▸ GAA P10253 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NOTUM Q6P988 1/20 0.47

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
SCHEMBL12335083 1.00 FES (0.67) FESRETMARK3TYK2FLT4
SCHEMBL12335052 1.00 FES (0.67) FESRETMARK3TYK2FLT4
SCHEMBL14324785 0.93 NAMPT (0.62) FESRETMARK3TYK2FLT4
SCHEMBL12336100 0.91 FES (0.63) FESRETMARK3TYK2FLT4
SCHEMBL12334916 0.90 FES (0.61) FESRETMARK3TYK2FLT4
SCHEMBL12335516 0.88 KDM4E (0.51) FESRETMARK3TYK2FLT4
SCHEMBL12335114 0.88 KDM4E (0.51) FESRETMARK3TYK2FLT4
SCHEMBL12336172 0.88 NOTUM (0.58) FESRETMARK3TYK2FLT4
SCHEMBL12335427 0.87 KDM4E (0.52) FESRETMARK3TYK2FLT4
SCHEMBL12335079 0.85 NOTUM (0.60) FESRETMARK3TYK2FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160367541-A1 THERAPEUTIC AND DIAGNOSTIC METHODS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2016-12-22 — — US disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 — — US disclosed
US-8912184-B1 Therapeutic and diagnostic methods ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-12-16 — — US disclosed
US-8912184-B1 Therapeutic and diagnostic methods ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-12-16 — — US disclosed
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 — — 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-20160367541-A1 THERAPEUTIC AND DIAGNOSTIC METHODS NAMPT, NAPRT, NNT FES 4094/4885RET 2381/4885MARK3 2068/4885
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 FES 4391/4885RET 1129/4885MARK3 3505/4885

“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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