SCHEMBL3573103

SCHEMBL3573103

COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)NCc2cccc3cc(Cl)ccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NQO2 P16083 1/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
ATM Q13315 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.48
FKBP1A P62942 1/20 0.48
PTPN1 P18031 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TACR1 P25103 1/20 0.45

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
SCHEMBL8088647 1.00 POLB (0.60) POLBMEN1KMT2ANQO2MTNR1A
SCHEMBL8101590 0.94 POLB (0.59) POLBMEN1KMT2AMTNR1AMTNR1B
SCHEMBL3578970 0.94 POLB (0.59) POLBMEN1KMT2AMTNR1AMTNR1B
SCHEMBL25592977 0.91 MEN1 (0.65) POLBMEN1KMT2ANQO2MTNR1A
SCHEMBL3576515 0.84 MEN1 (0.55) POLBMEN1KMT2ANQO2MTNR1A
SCHEMBL3583135 0.84 POLB (0.56) POLBMEN1KMT2AMTNR1AMTNR1B
SCHEMBL8097313 0.84 POLB (0.56) POLBMEN1KMT2AMTNR1AMTNR1B
SCHEMBL25592921 0.81 CYP3A4 (0.66) POLBMEN1KMT2AATMALDH1A1
SCHEMBL3572040 0.81 POLB (0.70) POLBMEN1KMT2AATMALDH1A1
SCHEMBL3573621 0.78 FKBP1A (0.68) POLBMEN1KMT2AATMALDH1A1

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 4716/4885MEN1 921/4885KMT2A 1804/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 POLB 4716/4885MEN1 921/4885KMT2A 1804/4885

“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.