SCHEMBL13046673

SCHEMBL13046673

CC(C)S(=O)(=O)N(CCCCCCNC(=N)Nc1ccncc1)OCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.45
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SPHK1 Q9NYA1 2/20 0.33
CYP19A1 P11511 1/20 0.33
ROCK2 O75116 1/20 0.33
EPHX1 P07099 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
NPY5R Q15761 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
SCHEMBL13045695 1.00 NAMPT (0.45) NAMPTMAPK1TSHRALDH1A1KMT2A
SCHEMBL13045876 0.90 NAMPT (0.47) NAMPTMAPK1TSHRALDH1A1KMT2A
SCHEMBL13046366 0.90 NAMPT (0.47) NAMPTMAPK1TSHRALDH1A1KMT2A
SCHEMBL13046658 0.90 NAMPT (0.47) NAMPTMAPK1TSHRALDH1A1KMT2A
SCHEMBL13045880 0.90 NAMPT (0.47) NAMPTMAPK1TSHRALDH1A1KMT2A
SCHEMBL13046661 0.89 NAMPT (0.50) NAMPTMAPK1TSHRALDH1A1KMT2A
SCHEMBL13046368 0.89 NAMPT (0.50) NAMPTMAPK1TSHRALDH1A1KMT2A
SCHEMBL13045782 0.89 NAMPT (0.50) NAMPTMAPK1TSHRALDH1A1KMT2A
SCHEMBL13045459 0.87 NAMPT (0.46) NAMPTMAPK1TSHRALDH1A1KMT2A
SCHEMBL13045864 0.86 NAMPT (0.49) NAMPTMAPK1TSHRALDH1A1KMT2A

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-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
WO-2010142735-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TOPOTARGET A/S (DK) 2010-12-16 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 (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-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE NAMPT, NAPRT, NNT NAMPT 1/4885MAPK1 2123/4885TSHR 1694/4885

“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.