SCHEMBL3567863

SCHEMBL3567863

O=C(NCCc1ccccc1)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 2/20 0.48
CFD P00746 2/20 0.47
P2RX7 Q99572 1/20 0.47
FKBP1A P62942 2/20 0.46
CLPP Q16740 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1A P48039 1/20 0.41
MC4R P32245 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL3576076 1.00 KMT2A (0.48) KMT2AMEN1POLBCFDP2RX7
SCHEMBL3572040 0.82 POLB (0.70) KMT2AMEN1POLBP2RX7FKBP1A
SCHEMBL3573621 0.82 FKBP1A (0.68) KMT2AMEN1POLBFKBP1AALDH1A1
SCHEMBL3577733 0.81 USP2 (0.49) KMT2AMEN1POLBP2RX7FKBP1A
SCHEMBL13119598 0.78 FKBP1A (0.46) KMT2AMEN1POLBCFDFKBP1A
SCHEMBL8096486 0.78 FKBP1A (0.46) KMT2AMEN1POLBCFDFKBP1A
SCHEMBL25592921 0.76 CYP3A4 (0.66) KMT2AMEN1POLBP2RX7FKBP1A
SCHEMBL25592977 0.73 MEN1 (0.65) KMT2AMEN1POLBP2RX7FKBP1A
SCHEMBL3577905 0.70 P2RX7 (0.55) KMT2AMEN1POLBP2RX7FKBP1A
SCHEMBL28570819 0.69 PTPN1 (0.74) KMT2AMEN1ALDH1A1MAPTMTNR1A

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