SCHEMBL2470656

SCHEMBL2470656

CCCCCC1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
HTR7 P34969 5/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AKR1B1 P15121 3/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 2/20 0.32

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
SCHEMBL2472584 0.97 MEN1 (0.35) MMP2MMP3MMP9HTR7MEN1
SCHEMBL2468680 0.88 AKR1B1 (0.38) HTR7MEN1KMT2AAKR1B1RAB9A
SCHEMBL2470934 0.85 EGFR (0.40) AKR1B1RAB9AHTTSMN1; SMN2EGFR
SCHEMBL2469521 0.84 EGFR (0.37) AKR1B1RAB9AHTTSMN1; SMN2EGFR
SCHEMBL2472059 0.84 AKR1B1 (0.37) HTR7MEN1KMT2AAKR1B1RAB9A
SCHEMBL2470884 0.84 AKR1B1 (0.35) HTR7MEN1KMT2AAKR1B1RAB9A
SCHEMBL2467790 0.82 MEN1 (0.34) MMP2MMP3MMP9HTR7MEN1
SCHEMBL2473475 0.81 MEN1 (0.34) MMP2MMP3MMP9HTR7MEN1
SCHEMBL2467315 0.81 HSD11B1 (0.37) KMT2AAKR1B1RAB9AHTTSMN1; SMN2
SCHEMBL2473206 0.81 EGFR (0.37) HTR7EGFR

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 14 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-A2 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2007-11-28 EP claimed
WO-2006098969-A2 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2006-09-21 WO 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

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 MMP2 4032/4885MMP3 3741/4885MMP9 3489/4885
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H MMP2 4032/4885MMP3 3741/4885MMP9 3489/4885

“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.