SCHEMBL8100592

SCHEMBL8100592

CC(=O)N1Cc2ccccc2C1C(=O)NCc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
CYP2C19 P33261 4/20 0.53
CYP3A4 P08684 3/20 0.53
POLB P06746 1/20 0.53
CYP2C9 P11712 3/20 0.52
FPR1 P21462 2/20 0.52
CYP1A2 P05177 2/20 0.52
XIAP P98170 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 4/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.46
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
HSD11B1 P28845 1/20 0.46

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
SCHEMBL3580290 0.74 SMN1; SMN2 (0.42) SMN1; SMN2CYP2C19CYP3A4POLBCYP2C9
SCHEMBL8102672 0.74 LMNA (0.56) SMN1; SMN2CYP2C19CYP3A4POLBCYP2C9
SCHEMBL8102978 0.73 TSHR (0.61) SMN1; SMN2CYP2C19CYP3A4CYP2C9CYP1A2
SCHEMBL14669652 0.73 ALDH1A1 (0.55) CYP2C19CYP3A4CYP2C9CYP1A2ALDH1A1
SCHEMBL3751782 0.73 CYP2C19 (0.57) SMN1; SMN2CYP2C19CYP3A4POLBCYP2C9
SCHEMBL8096462 0.72 CYP2C19 (0.52) SMN1; SMN2CYP2C19CYP3A4POLBCYP2C9
SCHEMBL13119596 0.72 CYP2C19 (0.52) SMN1; SMN2CYP2C19CYP3A4POLBCYP2C9
SCHEMBL8100774 0.71 CYP2C19 (0.50) SMN1; SMN2CYP2C19CYP3A4POLBCYP2C9
SCHEMBL13621146 0.71 ALDH1A1 (0.74) CYP2C19CYP3A4POLBCYP2C9CYP1A2
SCHEMBL7419984 0.70 ALDH1A1 (0.70) CYP2C19CYP3A4CYP2C9ALDH1A1TSHR

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 6 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-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
US-20100256144-A1 Kallikrein 7 modulators NOVARTIS AG (CH) 2010-10-07 US 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 SMN1; SMN2 4872/4885CYP2C19 3214/4885CYP3A4 2200/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 SMN1; SMN2 4872/4885CYP2C19 3214/4885CYP3A4 2200/4885

“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.