SCHEMBL3579267

SCHEMBL3579267

C#Cc1ccc2cccc(CNC(=O)N3c4ccccc4C[C@H]3C(=O)NCc3cccnc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.41
LMNA P02545 5/20 0.41
TSHR P16473 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.37
XIAP P98170 1/20 0.37
P2RX7 Q99572 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 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
SCHEMBL3579963 0.82 POLB (0.52) LMNATSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL3580290 0.82 SMN1; SMN2 (0.42) CFDLMNATSHRCYP2C9CYP2C19
SCHEMBL3575319 0.81 POLB (0.49) LMNATSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL3579831 0.79 CFD (0.42) CFDLMNATSHRCYP2C9CYP2C19
SCHEMBL3570922 0.78 CFD (0.41) CFDLMNATSHRCYP2C9CYP2C19
SCHEMBL3582860 0.78 CFD (0.41) CFDLMNATSHRCYP2C9CYP2C19
SCHEMBL3574125 0.76 POLB (0.47) CYP2C9CYP2C19ALDH1A1POLBCYP3A4
SCHEMBL8102672 0.74 LMNA (0.56) LMNATSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL3578218 0.73 POLB (0.54) CYP2C9CYP2C19ALDH1A1P2RX7POLB
SCHEMBL3582004 0.69 CFD (0.40) CFDTSHRCYP2C9CYP2C19ALDH1A1

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 335/4885LMNA 3816/4885TSHR 2691/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 CFD 335/4885LMNA 3816/4885TSHR 2691/4885

“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.