SCHEMBL656903

SCHEMBL656903

COC(=O)c1ccc(NC(=O)CN)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.77
KMT2A Q03164 7/20 0.77
RAB9A P51151 4/20 0.62
NPC1 O15118 2/20 0.62
MAPT P10636 7/20 0.60
LMNA P02545 4/20 0.60
ALDH1A1 P00352 3/20 0.60
HPGD P15428 2/20 0.60
KDM4E B2RXH2 2/20 0.60
MAPK1 P28482 2/20 0.59
LOXL2 Q9Y4K0 1/20 0.58
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL12176879 0.92 MEN1 (0.66) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11643697 0.92 MEN1 (0.66) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11642601 0.91 MEN1 (0.64) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11642686 0.89 MEN1 (0.62) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL12176915 0.89 MEN1 (0.62) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11648018 0.88 MEN1 (0.60) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL21590314 0.86 MEN1 (0.83) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL8661871 0.85 MEN1 (0.82) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7141724 0.85 TSHR (0.72) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7755042 0.84 MEN1 (0.54) MEN1KMT2ARAB9ANPC1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012022707-A1 SUBSTITUTED HETEROARYL SPIROPYRROLIDINE MDM2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-23 WO disclosed
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists BARTKOVITZ DAVID JOSEPH (US) 2012-02-23 US disclosed
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
US-4816452-A ANTIBIOTICS BEECHAM GROUP P.L.C. (GB) 1989-03-28 US disclosed
EP-0210815-A2 6-Beta-(alpha-etherified oxyimino)-acylamino penicillanic-acid derivatives, their preparation and use BEECHAM GROUP PLC (GB) 1987-02-04 EP 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 (3 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD MEN1 228/4885KMT2A 1997/4885RAB9A 3566/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 MEN1 505/4885KMT2A 1633/4885RAB9A 2636/4885
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists MDM2, TP53, RB1 MEN1 1998/4885KMT2A 1667/4885RAB9A 2171/4885

“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.