SCHEMBL3582852

SCHEMBL3582852

CO[C@@H]1C[C@@H](C(=O)NCc2cccnc2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 2/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.44
UCHL1 P09936 1/20 0.44
MEN1 O00255 1/20 0.44
CFD P00746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL8100774 0.87 CYP2C19 (0.50) NPSR1CYP2C19CYP3A4CYP2C9ALDH1A1
SCHEMBL6309402 0.79 NAMPT (0.51) NAMPTFNTAFNTBNPSR1CYP2C19
SCHEMBL1272783 0.78 HDAC8 (0.49) CYP2C19CYP3A4CYP2C9ALDH1A1POLB
SCHEMBL1273269 0.78 HDAC8 (0.49) CYP2C19CYP3A4CYP2C9ALDH1A1POLB
SCHEMBL3778450 0.78 HTT (0.49) POLBSMN1; SMN2KMT2AUCHL1MEN1
SCHEMBL13062784 0.78 HTT (0.49) POLBSMN1; SMN2KMT2AUCHL1MEN1
SCHEMBL3573633 0.77 TSHR (0.49) NAMPTFNTAFNTBNPSR1CYP2C19
SCHEMBL3573635 0.77 TSHR (0.49) NAMPTFNTAFNTBNPSR1CYP2C19
SCHEMBL19234246 0.76 P2RX7 (0.51) ALDH1A1CFD
SCHEMBL15126504 0.76 TSHR (0.52) NAMPTCYP2C19CYP3A4CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130028843-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2013-01-31 US disclosed
US-8309596-B2 Kallikrein 7 modulators NOVARTIS AG (CH) 2012-11-13 US disclosed
US-20100256144-A1 Kallikrein 7 modulators NOVARTIS AG (CH) 2010-10-07 US disclosed
EP-2170939-A1 KALLIKREIN 7 MODULATORS Novartis Ag (CH) 2010-04-07 EP disclosed
WO-2009000878-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2008-12-31 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-20130028843-A1 KALLIKREIN 7 MODULATORS KLK7, KLK5, KLKB1 NAMPT 1502/4885FNTA 2613/4885FNTB 2828/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 NAMPT 1502/4885FNTA 2613/4885FNTB 2828/4885

“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.