SCHEMBL2470320

SCHEMBL2470320

C=CCC1(c2ccc(F)c(F)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.33
CYP46A1 Q9Y6A2 2/20 0.32
ELOVL6 Q9H5J4 4/20 0.32
PGR P06401 1/20 0.31
IDO1 P14902 2/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL2470313 0.92 ELOVL6 (0.38) AKR1B1CYP46A1ELOVL6PGRIDO1
SCHEMBL2471238 0.89 MAPT (0.36) AKR1B1CYP46A1ELOVL6PGRIDO1
SCHEMBL2470195 0.86 CYP46A1 (0.36) AKR1B1CYP46A1ELOVL6PGRIDO1
SCHEMBL2470397 0.84 CYP46A1 (0.37) AKR1B1CYP46A1ELOVL6IDO1PTGDR2
SCHEMBL2470164 0.80 AKR1B1 (0.35) AKR1B1PTGDR2
SCHEMBL2470308 0.79 MAPT (0.36) AKR1B1CYP46A1ELOVL6PGRIDO1
SCHEMBL2470819 0.78 CYP46A1 (0.37) AKR1B1CYP46A1ELOVL6PGRIDO1
SCHEMBL2469599 0.78 CYP46A1 (0.39) AKR1B1CYP46A1ELOVL6PGRIDO1
SCHEMBL2469509 0.78 ADRA2C (0.32)
SCHEMBL2470448 0.78 ELOVL6 (0.35) AKR1B1CYP46A1ELOVL6IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858520-B1 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2011-10-05 EP claimed
US-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK (US) 2010-10-14 US claimed
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 US claimed
US-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK (US) 2010-10-14 US disclosed
US-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK (US) 2010-10-14 US disclosed
US-7745452-B2 Quinazolinone T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-29 US disclosed
US-7745452-B2 Quinazolinone T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-29 US disclosed
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 US disclosed
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 US disclosed
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 US disclosed
WO-2006098969-A2 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2006-09-21 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 (2 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-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H AKR1B1 2683/4885CYP46A1 3124/4885ELOVL6 4132/4885
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H AKR1B1 2683/4885CYP46A1 3124/4885ELOVL6 4132/4885

“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.