SCHEMBL3567330

SCHEMBL3567330

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

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
ATM Q13315 1/20 0.60
ALDH1A1 P00352 3/20 0.58
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.56
POLB P06746 3/20 0.55
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MMP8 P22894 1/20 0.53
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
CYP2C9 P11712 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL8102668 0.91 KMT2A (0.69) KMT2AMEN1ATMALDH1A1NPC1
SCHEMBL3575310 0.86 MEN1 (0.63) KMT2AMEN1ATMALDH1A1NPC1
SCHEMBL28627337 0.86 MEN1 (0.63) KMT2AMEN1ATMALDH1A1NPC1
SCHEMBL9275925 0.81 POLB (0.54) KMT2AMEN1ATMALDH1A1POLB
SCHEMBL9275930 0.81 POLB (0.54) KMT2AMEN1ATMALDH1A1POLB
SCHEMBL9280440 0.81 POLB (0.69) KMT2AMEN1ATMALDH1A1POLB
SCHEMBL9280447 0.81 POLB (0.69) KMT2AMEN1ATMALDH1A1POLB
SCHEMBL25592977 0.79 MEN1 (0.65) KMT2AMEN1ATMALDH1A1PKM
SCHEMBL8104234 0.78 POLB (0.65) KMT2AMEN1ATMPKMPOLB
SCHEMBL7417587 0.77 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1NPC1POLB

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 KMT2A 1804/4885MEN1 921/4885ATM 1144/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 KMT2A 1804/4885MEN1 921/4885ATM 1144/4885

“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.