SCHEMBL13728482

SCHEMBL13728482

O=C(C=Cc1cccnc1)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.73
▸ MEN1 O00255 2/20 0.73
▸ LMNA P02545 2/20 0.73
▸ MAPT P10636 2/20 0.73
▸ NAMPT P43490 15/20 0.72
▸ TSHR P16473 1/20 0.61
▸ HSP90AA1 P07900 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57

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
SCHEMBL13733592 1.00 KMT2A (0.73) KMT2AMEN1LMNAMAPTNAMPT
SCHEMBL13728220 0.83 NAMPT (1.00) NAMPT
SCHEMBL24448272 0.81 KMT2A (0.77) KMT2AMEN1LMNAMAPTNAMPT
SCHEMBL22441726 0.79 SLC40A1 (0.61) KMT2AMEN1LMNAMAPTNAMPT
SCHEMBL22441716 0.79 KMT2A (0.59) KMT2AMEN1LMNAMAPTNAMPT
SCHEMBL22441628 0.78 SLC40A1 (0.63) KMT2AMEN1LMNAMAPTNAMPT
SCHEMBL22441642 0.78 KMT2A (0.64) KMT2AMEN1LMNAMAPTTSHR
SCHEMBL27179428 0.77 KMT2A (0.70) KMT2AMEN1MAPTNAMPTTSHR
SCHEMBL13728783 0.77 NAMPT (1.00) NAMPT
SCHEMBL10054901 0.77 NAMPT (0.60) KMT2AMEN1LMNAMAPTNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169209-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2015-10-27 — — US claimed
US-20140275057-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2014-09-18 — — US claimed
WO-2012150952-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2012-11-08 — — WO claimed
US-9169209-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2015-10-27 — — US disclosed
US-20140275057-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2014-09-18 — — US disclosed
WO-2012150952-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2012-11-08 — — 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 (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-20140275057-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NAPRT KMT2A 1479/4885MEN1 834/4885LMNA 1255/4885

“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.

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