SCHEMBL5400501

SCHEMBL5400501

COC(=O)C(N)(Cl)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 3/20 0.50
PTPN1 P18031 1/20 0.47
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KCNN4 O15554 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6806279 0.84 KMT2A (0.54) KMT2AMEN1ALDH1A1PTPN1MAPK1
SCHEMBL11807375 0.81 KMT2A (0.51) KMT2AMEN1ALDH1A1PTPN1MAPK1
SCHEMBL3404332 0.80 KMT2A (0.50) KMT2AMEN1ALDH1A1PTPN1MAPK1
SCHEMBL29255120 0.80 KMT2A (0.50) KMT2AMEN1ALDH1A1PTPN1MAPK1
SCHEMBL27842108 0.79 KMT2A (0.49) KMT2AMEN1ALDH1A1PTPN1MAPK1
SCHEMBL27842109 0.79 KMT2A (0.49) KMT2AMEN1ALDH1A1PTPN1MAPK1
Hydrochloric Acid SCHEMBL4228454 0.79 KMT2A (0.49) KMT2AMEN1ALDH1A1PTPN1MAPK1
SCHEMBL21782232 0.79 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL11779839 0.78 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL1809268 0.78 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2825528-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-05-24 EP disclosed
US-8993614-B2 Substituted pyrrolidine-2-carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2015-03-31 US disclosed
EP-2825528-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2015-01-21 EP disclosed
WO-2013135648-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2013-09-19 WO disclosed
US-20130244958-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2013-09-19 US disclosed
US-7169803-B2 N-substituted prodrugs of fluorooxindoles BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
US-20050203089-A1 N-substituted prodrugs of fluorooxindoles BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 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-20050203089-A1 N-substituted prodrugs of fluorooxindoles KCNA5, KCNQ5, KCNQ2 KMT2A 3047/4885MEN1 1213/4885ALDH1A1 2272/4885
US-20130244958-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES CCNY, ARG2, RPS4Y1 KMT2A 367/4885MEN1 2576/4885ALDH1A1 1924/4885

“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.