SCHEMBL3582004

SCHEMBL3582004

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 3/20 0.40
KMT2A Q03164 4/20 0.38
CYP2C9 P11712 3/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 2/20 0.37
P2RX7 Q99572 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL3579831 0.89 CFD (0.42) CFDKMT2ACYP2C9CYP3A4CYP2C19
SCHEMBL3579963 0.74 POLB (0.52) KMT2ACYP2C9CYP3A4MEN1CYP2C19
SCHEMBL8100774 0.73 CYP2C19 (0.50) CFDKMT2ACYP2C9CYP3A4CYP2C19
SCHEMBL3575319 0.73 POLB (0.49) KMT2ACYP2C9CYP3A4MEN1CYP2C19
SCHEMBL3582860 0.73 CFD (0.41) CFDKMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL3570922 0.73 CFD (0.41) CFDKMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL3580594 0.72 MEN1 (0.42) CFDKMT2ACYP2C9CYP3A4MEN1
SCHEMBL3582852 0.70 NAMPT (0.49) CFDKMT2ACYP2C9CYP3A4MEN1
SCHEMBL3580290 0.69 SMN1; SMN2 (0.42) CFDCYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL3579267 0.69 CFD (0.41) CFDKMT2ACYP2C9CYP3A4CYP2C19

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 335/4885KMT2A 1804/4885CYP2C9 3235/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 CFD 335/4885KMT2A 1804/4885CYP2C9 3235/4885

“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.