SCHEMBL3575310

SCHEMBL3575310

COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 5/20 0.54
ATM Q13315 1/20 0.53
NPC1 O15118 3/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL28627337 1.00 MEN1 (0.63) MEN1KMT2AALDH1A1ATMNPC1
SCHEMBL28626848 0.89 ALDH1A1 (0.56) MEN1KMT2AALDH1A1ATMNPC1
SCHEMBL28630307 0.89 LMNA (0.60) MEN1KMT2AALDH1A1ATMNPC1
SCHEMBL18257057 0.89 ALDH1A1 (0.56) MEN1KMT2AALDH1A1ATMNPC1
SCHEMBL28622865 0.88 ALDH1A1 (0.55) MEN1KMT2AALDH1A1ATMNPC1
SCHEMBL28625164 0.88 ALDH1A1 (0.66) MEN1KMT2AALDH1A1ATMNPC1
SCHEMBL28923360 0.88 ALDH1A1 (0.55) MEN1KMT2AALDH1A1ATMNPC1
SCHEMBL28628871 0.88 MEN1 (0.61) MEN1KMT2AALDH1A1ATMNPC1
SCHEMBL11096695 0.88 MEN1 (0.61) MEN1KMT2AALDH1A1ATMNPC1
SCHEMBL28622807 0.87 CYP3A4 (0.57) MEN1KMT2AALDH1A1ATMNPC1

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 MEN1 921/4885KMT2A 1804/4885ALDH1A1 4057/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 MEN1 921/4885KMT2A 1804/4885ALDH1A1 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.