SCHEMBL8102672

SCHEMBL8102672

CC(=O)N1c2ccccc2CC1C(=O)NCc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
XIAP P98170 2/20 0.50
POLB P06746 2/20 0.50
CYP2C19 P33261 4/20 0.49
CYP2C9 P11712 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL3579267 0.74 CFD (0.41) LMNAXIAPPOLBCYP2C19CYP2C9
SCHEMBL8100592 0.74 SMN1; SMN2 (0.53) LMNAXIAPPOLBCYP2C19CYP2C9
SCHEMBL8102978 0.73 TSHR (0.61) CYP2C19CYP2C9CYP3A4CYP1A2ALDH1A1
SCHEMBL25658103 0.71 KDM4E (0.60) LMNACYP2C19CYP2C9CYP3A4CYP1A2
SCHEMBL4707127 0.71 NOTUM (0.68)
SCHEMBL16350248 0.71 NOTUM (0.68)
SCHEMBL8100774 0.71 CYP2C19 (0.50) POLBCYP2C19CYP2C9CYP3A4CYP1A2
SCHEMBL13621146 0.71 ALDH1A1 (0.74) LMNAPOLBCYP2C19CYP2C9CYP3A4
SCHEMBL7419984 0.70 ALDH1A1 (0.70) LMNACYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL2824813 0.70 NOTUM (0.66)

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 LMNA 3816/4885XIAP 1319/4885POLB 4716/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 LMNA 3816/4885XIAP 1319/4885POLB 4716/4885

“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.