SCHEMBL3020600

SCHEMBL3020600

CC1C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cc21

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.65
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NOTUM Q6P988 1/20 0.43
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
KDM1A O60341 1/20 0.41
HTR7 P34969 2/20 0.41
BRD4 O60885 1/20 0.41
KIF11 P52732 1/20 0.40
AKR1C3 P42330 1/20 0.40
MAPK14 Q16539 1/20 0.39

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
SCHEMBL10713244 0.83 PGR (0.45) PGRNOTUMPARP10PARP11KDM1A
SCHEMBL30364265 0.78 KMT2A (0.44) PGRMEN1KMT2A
SCHEMBL3526245 0.75 PGR (1.00) PGR
SCHEMBL19645814 0.74 PGR (0.63) PGR
SCHEMBL3377336 0.70 AR (0.45) PGRNOTUMPARP10PARP11KIF11
SCHEMBL4888650 0.70 KIF11 (0.67) PGRNOTUMPARP10PARP11KIF11
SCHEMBL12056345 0.70 PGR (0.50) PGRMEN1KMT2AKIF11
SCHEMBL29678302 0.70 TSHR (0.58) PGRNOTUMKDM1AKIF11
SCHEMBL1263144 0.70 TSHR (0.58) PGRNOTUMKDM1AKIF11
SCHEMBL24112727 0.70 PGR (0.53) PGRMEN1KMT2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 US disclosed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 US disclosed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 US disclosed
EP-2205079-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-14 EP disclosed
WO-2009045381-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 WO disclosed
WO-2009045381-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 WO 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 (1 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-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1D, TRPV1 PGR 4426/4885MEN1 1727/4885KMT2A 2657/4885

“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.