SCHEMBL17560484

SCHEMBL17560484

CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 3/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
ALOX5 P09917 1/20 0.36
MEN1 O00255 8/20 0.34
KMT2A Q03164 8/20 0.34
HTT P42858 6/20 0.34
ALDH1A1 P00352 3/20 0.34
MITF O75030 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.32
CASP3 P42574 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
CRHBP P24387 1/20 0.32

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
SCHEMBL17560485 1.00 MAPT (0.40) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL17569528 0.87 MAPT (0.40) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL19275673 0.86 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL17569413 0.86 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL19271240 0.84 LMNA (0.42) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL19275515 0.83 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6701858 0.83 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL17569636 0.83 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL17560600 0.82 NR1H4 (0.33)
SCHEMBL17560601 0.82 NR1H4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944641-B2 Isoquinolinone derivatives useful in the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2018-04-17 US disclosed
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-08-24 US disclosed
US-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-08-24 US disclosed
EP-3189051-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Pierre Fabre Médicament (FR) 2017-07-12 EP disclosed
WO-2016034642-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2016-03-10 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-20170240544-A1 ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER TP53, KRAS, AQP1 MAPT 2029/4885SMN1; SMN2 2437/4885NPC1 484/4885

“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.