SCHEMBL2469749

SCHEMBL2469749

CCC1(c2ccc(CS)cc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTR7 P34969 2/20 0.32
IDO1 P14902 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL2470405 0.91 AKR1B1 (0.38) AKR1B1HDAC1HDAC8HDAC6HTR7
SCHEMBL2467461 0.87 AKR1B1 (0.37) AKR1B1HTR7CYP1A2MAPTCYP2C19
SCHEMBL8259148 0.85 AKR1B1 (0.34) AKR1B1HTR7CYP1A2MAPTCYP2C19
SCHEMBL2469746 0.84 AKR1B1 (0.34) AKR1B1HTR7CYP1A2MAPTCYP2C19
SCHEMBL2470294 0.84 ELOVL6 (0.39) AKR1B1HTR7IDO1
SCHEMBL2469599 0.80 CYP46A1 (0.39) AKR1B1HTR7IDO1MAPTKMT2A
SCHEMBL2469314 0.80 AKR1B1 (0.39) AKR1B1HTR7
SCHEMBL2470627 0.79 AKR1B1 (0.36) AKR1B1HTR7CYP1A2MAPTCYP2C19
SCHEMBL2469105 0.78 AKR1B1 (0.36) AKR1B1HTR7CYP1A2MAPTCYP2C19
SCHEMBL2469612 0.78 AKR1B1 (0.36) AKR1B1HTR7CYP1A2MAPTCYP2C19

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 7 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
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 AKR1B1 2683/4885HDAC1 2886/4885HDAC8 3434/4885
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H AKR1B1 2683/4885HDAC1 2886/4885HDAC8 3434/4885

“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.