SCHEMBL3579831

SCHEMBL3579831

C#Cc1ccc2cccc(CNC(=O)N3C[C@H](OC)C[C@H]3C(=O)NCc3cccnc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFD P00746 3/20 0.42
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
P2RX7 Q99572 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NQO2 P16083 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL3582004 0.89 CFD (0.40) CFDNPSR1KMT2ACYP2C9CYP2C19
SCHEMBL3579963 0.84 POLB (0.52) NPSR1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL3575319 0.83 POLB (0.49) NPSR1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL3582860 0.83 CFD (0.41) CFDKMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL3570922 0.83 CFD (0.41) CFDKMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL3579267 0.79 CFD (0.41) CFDKMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL3580290 0.79 SMN1; SMN2 (0.42) CFDCYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL3574125 0.78 POLB (0.47) KMT2ACYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL8100774 0.76 CYP2C19 (0.50) CFDNPSR1KMT2ACYP2C9CYP2C19
SCHEMBL3578218 0.75 POLB (0.54) KMT2ACYP2C9CYP2C19CYP3A4ALDH1A1

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 3 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

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 CFD 335/4885NPSR1 1011/4885KMT2A 1804/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 CFD 335/4885NPSR1 1011/4885KMT2A 1804/4885

“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.