SCHEMBL10155412

SCHEMBL10155412

CC(C)(C)OC(=O)NCCNC(=O)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 5/20 0.41
HTT P42858 2/20 0.41
EGFR P00533 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL891460 0.91 NPC1 (0.43) ALDH1A1NPC1RAB9ACYP3A4MAPT
SCHEMBL2465103 0.86 ALDH1A1 (0.42) ALDH1A1CYP3A4MAPTHTTSMN1; SMN2
SCHEMBL10155416 0.84 KMT2A (0.44) ALDH1A1NPC1RAB9ACYP3A4MAPT
SCHEMBL10193104 0.84 NPC1 (0.44) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL1669636 0.82 MAPT (0.43) ALDH1A1NPC1RAB9ACYP3A4MAPT
SCHEMBL1668197 0.82 POLB (0.53) ALDH1A1NPC1RAB9ACYP3A4MAPT
SCHEMBL1668369 0.81 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ACYP3A4MAPT
SCHEMBL4837420 0.81 ALDH1A1 (0.50) ALDH1A1MAPTHTTSMN1; SMN2L3MBTL1
SCHEMBL6260157 0.80 MAPT (0.53) ALDH1A1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL8193550 0.80 SIRT5 (0.47) ALDH1A1MAPTHTTTDP1BRD4

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-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-09-06 US disclosed
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-04-05 US disclosed
US-7772266-B2 treating or preventing benign prostatic hyperplasia, enlarged prostate, acute urinary retention with 2-Isopropyl-5-methyl-cyclohexanecarboxylic acid (2-amino-2-phenyl-ethyl)-amide; agonists or antagonists of a transient receptor potential proteins; anticarcinogenic agent DENDREON CORPORATION (US) 2010-08-10 US disclosed
US-7741355-B2 Small-molecule modulators of TRP-p8 activity DENDREON CORPORATION (US) 2010-06-22 US disclosed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 US disclosed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 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 (4 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-20070232603-A1 Small-molecule modulators of TRP-P8 activity TRPC4, TRPC3, TRPC1 ALDH1A1 4789/4885NPC1 1258/4885RAB9A 2630/4885
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 ALDH1A1 4789/4885NPC1 1258/4885RAB9A 2630/4885
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 ALDH1A1 4789/4885NPC1 1258/4885RAB9A 2630/4885
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 ALDH1A1 4789/4885NPC1 1258/4885RAB9A 2630/4885

“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.