SCHEMBL3579963

SCHEMBL3579963

C#Cc1ccc2cccc(CNC(=O)N3CCC[C@H]3C(=O)NCc3cccnc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 4/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 3/20 0.44
F2 P00734 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FKBP1A P62942 1/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.42
P2RX7 Q99572 1/20 0.42

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
SCHEMBL3575319 0.98 POLB (0.49) POLBKDM4EALDH1A1CYP2C9CYP2C19
SCHEMBL3574125 0.93 POLB (0.47) POLBKDM4EALDH1A1CYP2C9CYP2C19
SCHEMBL3578218 0.91 POLB (0.54) POLBALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3579602 0.86 POLB (0.49) POLBALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3585964 0.86 POLB (0.47) POLBALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3579831 0.84 CFD (0.42) POLBKDM4EALDH1A1CYP2C9CYP2C19
SCHEMBL3574503 0.83 POLB (0.48) POLBALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3574501 0.83 POLB (0.48) POLBALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3570922 0.83 CFD (0.41) ALDH1A1CYP2C9CYP2C19TSHRKMT2A
SCHEMBL3582860 0.83 CFD (0.41) ALDH1A1CYP2C9CYP2C19TSHRKMT2A

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 POLB 4716/4885KDM4E 682/4885ALDH1A1 4057/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 POLB 4716/4885KDM4E 682/4885ALDH1A1 4057/4885

“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.