SCHEMBL159804

SCHEMBL159804

O=S(=O)(c1ccc(Cn2ccnc2)cc1)c1cccc(N2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.47
CYP17A1 P05093 6/20 0.47
CYP21A2 P08686 6/20 0.47
WDR5 P61964 1/20 0.46
HTR6 P50406 1/20 0.45
CYP11B2 P19099 3/20 0.44

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
SCHEMBL164101 0.99 CYP11B1 (0.47) CYP11B1CYP17A1CYP21A2WDR5HTR6
SCHEMBL22399257 0.90 NAMPT (0.51) CYP11B1CYP17A1CYP21A2HTR6
SCHEMBL21500647 0.83 CYP11B1 (0.50) CYP11B1CYP17A1CYP21A2WDR5CYP11B2
SCHEMBL173715 0.82 NAMPT (0.54) CYP11B1CYP17A1CYP11B2
SCHEMBL28148786 0.81 CA12 (0.50) HTR6
SCHEMBL19742865 0.80 CYP11B1 (0.68) CYP11B1CYP17A1CYP11B2
SCHEMBL28150003 0.80 CA12 (0.51) HTR6
SCHEMBL21500648 0.79 NAMPT (0.55) CYP11B1CYP11B2
SCHEMBL22399266 0.77 CYP11B1 (0.51) CYP11B1CYP17A1CYP11B2
SCHEMBL21500662 0.77 NAMPT (0.49) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US disclosed
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US disclosed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP disclosed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 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-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 CYP11B1 455/4885CYP17A1 2580/4885CYP21A2 932/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 CYP11B1 455/4885CYP17A1 2580/4885CYP21A2 932/4885

“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.