SCHEMBL2628034

SCHEMBL2628034

Cc1cccc2onc(NCC(CCO)c3cccc(F)c3)c12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNA5 P22460 3/20 0.34
SGMS2 Q8NHU3 2/20 0.33
KIT P10721 2/20 0.33
KDR P35968 2/20 0.33
BRD4 O60885 2/20 0.32
SGMS1 Q86VZ5 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL2628035 0.88 KCNA5 (0.42) SMN1; SMN2KCNA5SGMS2SGMS1
SCHEMBL1478346 0.88 KCNA5 (0.47) TP53SMN1; SMN2KCNA5SGMS2SGMS1
SCHEMBL2633191 0.76 KCNA5 (0.56) KCNA5SGMS2SGMS1
SCHEMBL1478453 0.72 KCNA5 (0.41) TP53SMN1; SMN2KCNA5SGMS2SGMS1
SCHEMBL18727704 0.69 KCNA5 (0.46) KCNA5SGMS2KDRSGMS1
SCHEMBL18727490 0.67 ELANE (0.45) SMN1; SMN2KCNA5SGMS2SGMS1
SCHEMBL2628025 0.65 SLC6A2 (0.43) SLC6A2SLC6A4
SCHEMBL12426072 0.63 SGMS2 (0.39) TP53SMN1; SMN2KCNA5SGMS2KIT
SCHEMBL1478103 0.61 KCNA5 (0.61) KCNA5SGMS2SGMS1
SCHEMBL1478104 0.61 KCNA5 (0.61) KCNA5SGMS2SGMS1

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-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 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-20120094983-A1 ACYCLIC IKUR INHIBITORS KCNH2, KCNJ2, KCNH3 SLC6A2 4114/4885SLC6A4 2768/4885TP53 3042/4885

“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.