SCHEMBL5328815

SCHEMBL5328815

CC(C)(C)CC(=O)Nc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.65
RAB9A P51151 4/20 0.65
GAA P10253 3/20 0.65
MAPT P10636 2/20 0.65
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA14 Q9ULX7 1/20 0.61
NPC1 O15118 2/20 0.59
ALDH1A1 P00352 3/20 0.59
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 2/20 0.54
XBP1 P17861 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL23518443 0.90 RAB9A (0.76) HPGDRAB9AGAAMAPTCA1
SCHEMBL24590187 0.84 HDAC3 (0.58) RAB9AGAAMAPTNPC1ALDH1A1
SCHEMBL5649258 0.83 RAB9A (0.67) HPGDRAB9AGAAMAPTCA1
SCHEMBL27985505 0.83 GAA (0.59) RAB9AGAAMAPTNPC1ALDH1A1
SCHEMBL23512030 0.82 ADORA2A (0.54) HPGDRAB9AGAAMAPTCA1
SCHEMBL23518442 0.81 RAB9A (0.65) HPGDRAB9AGAAMAPTCA1
SCHEMBL13021180 0.81 RAB9A (0.65) HPGDRAB9AGAAMAPTCA1
SCHEMBL13167576 0.81 RAB9A (0.65) HPGDRAB9AGAAMAPTCA1
SCHEMBL10891853 0.81 CA1 (0.66) HPGDRAB9AGAAMAPTCA1
SCHEMBL4110940 0.81 MAPT (0.86) HPGDRAB9AGAAMAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
WO-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 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-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC HPGD 2422/4885RAB9A 1353/4885GAA 313/4885

“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.