SCHEMBL15499689

SCHEMBL15499689

CC(C)(C)OC(=O)N1C[C@H](OCc2cccc(F)c2)C[C@H]1COc1cccc(NC(=N)c2cccs2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.41
F2 P00734 2/20 0.41
ELANE P08246 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.39
CCR3 P51677 1/20 0.38
ABCB1 P08183 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL17794143 0.89 F10 (0.38) F10F2ELANESIRT2CCR3
SCHEMBL17794172 0.83 SIRT2 (0.37) SIRT2CCR3MEN1KMT2ASMN1; SMN2
SCHEMBL15499688 0.81 ABCB1 (0.42) ABCB1MAOB
SCHEMBL15499686 0.79 CHRNB4 (0.43) F10ABCB1MAOB
SCHEMBL15499636 0.78 NOS3 (0.41) F10F2ELANEMEN1LMNA
SCHEMBL15499685 0.76 ABCB1 (0.47) ABCB1MAOB
SCHEMBL15743870 0.75 USP30 (0.47) MEN1MAPTKMT2A
SCHEMBL22324645 0.71 ABCB1 (0.43) ABCB1MAOB
SCHEMBL4325300 0.71 ABCB1 (0.52) ABCB1
SCHEMBL15499687 0.71 ABCB1 (0.42) ABCB1MAOB

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-8735606-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide inhibitors NORTHWESTERN UNIVERSITY (US) 2014-05-27 US disclosed
US-20140066635-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NORTHWESTERN UNIVERSITY (US) 2014-03-06 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-20140066635-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NOS2, NOS1, NOS3 F10 4726/4885F2 4821/4885ELANE 2996/4885

“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.