SCHEMBL2628035

SCHEMBL2628035

Cc1cccc2onc(NCC(CCO)c3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.42
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SGMS1 Q86VZ5 2/20 0.34
SGMS2 Q8NHU3 2/20 0.34
KCNH2 Q12809 2/20 0.33
METAP1 P53582 4/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FDPS P14324 1/20 0.32
TRPA1 O75762 1/20 0.31
ELANE P08246 1/20 0.31
CTRB1 P17538 1/20 0.31

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
SCHEMBL2628034 0.88 SLC6A2 (0.35) KCNA5SMN1; SMN2SGMS1SGMS2
SCHEMBL2633191 0.85 KCNA5 (0.56) KCNA5SGMS1SGMS2
SCHEMBL1478346 0.75 KCNA5 (0.47) KCNA5SMN1; SMN2SGMS1SGMS2
SCHEMBL1478328 0.69 KCNA5 (0.48) KCNA5LMNASMN1; SMN2SGMS1SGMS2
SCHEMBL1478103 0.68 KCNA5 (0.61) KCNA5SGMS1SGMS2
SCHEMBL1478104 0.68 KCNA5 (0.61) KCNA5SGMS1SGMS2
SCHEMBL1478152 0.68 KCNA5 (0.61) KCNA5SGMS1SGMS2
SCHEMBL12426072 0.67 SGMS2 (0.39) KCNA5SMN1; SMN2SGMS1SGMS2ELANE
SCHEMBL2628031 0.65 KCNA5 (0.54) KCNA5SGMS1SGMS2TSHRHSD17B10
SCHEMBL3613003 0.64 MTNR1A (0.49) SMN1; SMN2TRPA1

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 KCNA5 67/4885LMNA 2461/4885HPGD 2919/4885

“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.