SCHEMBL1444112

SCHEMBL1444112

Cc1ccc(C(C)(N)CC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KIF11 P52732 5/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.40
MIF P14174 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC13A5 Q86YT5 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL2295046 0.84 CYP2C19 (0.64) CYP2C19HIF1AMAPTKIF11KMT2A
SCHEMBL2300536 0.84 CYP2C19 (0.64) CYP2C19HIF1AMAPTKIF11KMT2A
SCHEMBL167044 0.84 CYP2C19 (0.64) CYP2C19HIF1AMAPTKIF11KMT2A
SCHEMBL1920886 0.83 MIF (0.61) CYP2C19HIF1ANPC1MAPTRAB9A
SCHEMBL1585458 0.83 CYP2C19 (0.44) CYP2C19HIF1ANPC1RAB9AKIF11
SCHEMBL17047210 0.83 MIF (0.61) CYP2C19HIF1ANPC1MAPTRAB9A
SCHEMBL831691 0.83 MIF (0.61) CYP2C19HIF1ANPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL5860902 0.82 CYP2C19 (0.62) CYP2C19HIF1AMAPTKIF11KMT2A
SCHEMBL7236788 0.80 ALDH1A1 (0.49) NPC1MAPTRAB9AKIF11KMT2A
SCHEMBL31294691 0.80 CYP2C19 (0.48) CYP2C19HIF1ANPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477976-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-07-25 EP disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 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-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E CYP2C19 712/4885HIF1A 3049/4885NPC1 1299/4885

“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.