SCHEMBL2470164

SCHEMBL2470164

C=CCC1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.35
HSD11B1 P28845 1/20 0.35
RAB9A P51151 1/20 0.32
GABRA1 P14867 3/20 0.31
GABRG2 P18507 3/20 0.31
GABRB3 P28472 3/20 0.31
GABRB2 P47870 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
EGFR P00533 2/20 0.31
PDGFRB P09619 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
SCHEMBL2471238 0.89 MAPT (0.36) AKR1B1GABRA1GABRG2GABRB3GABRB2
SCHEMBL2470313 0.86 ELOVL6 (0.38) AKR1B1MAPT
SCHEMBL2467315 0.86 HSD11B1 (0.37) AKR1B1HSD11B1RAB9AHTTSMN1; SMN2
SCHEMBL2467461 0.85 AKR1B1 (0.37) AKR1B1RAB9AHTTSMN1; SMN2PTGDR2
SCHEMBL2471326 0.83 AKR1B1 (0.36) AKR1B1RAB9AHTTSMN1; SMN2PTGDR2
SCHEMBL2469105 0.83 AKR1B1 (0.36) AKR1B1RAB9AHTTSMN1; SMN2PTGDR2
SCHEMBL2471544 0.83 MAPT (0.33) AKR1B1RAB9AHTTSMN1; SMN2CYP1A2
SCHEMBL2473141 0.81 AKR1B1 (0.34) AKR1B1RAB9AHTTSMN1; SMN2PTGDR2
SCHEMBL2470320 0.80 AKR1B1 (0.33) AKR1B1PTGDR2
SCHEMBL2470308 0.79 MAPT (0.36) AKR1B1PTGDR2MAPTKMT2A

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 13 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
EP-1858520-B1 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed
EP-1858520-B1 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed
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 2683/4885HSD11B1 3924/4885RAB9A 905/4885
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H AKR1B1 2683/4885HSD11B1 3924/4885RAB9A 905/4885

“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.