SCHEMBL2880280

SCHEMBL2880280

O=C(O)Nc1ccc(Cl)cc1C(=O)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.60
SLC10A6 Q3KNW5 1/20 0.57
MAPT P10636 5/20 0.57
ALDH1A1 P00352 5/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.55
CCR9 P51686 1/20 0.54
SERPINE1 P05121 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL19857833 0.82 MAPT (0.53) TP53MAPTALDH1A1LMNASERPINE1
SCHEMBL8258036 0.80 SLC10A6 (0.50) TP53SLC10A6MAPTALDH1A1LMNA
SCHEMBL19857794 0.79 CCR9 (0.57) TP53MAPTALDH1A1LMNACCR9
SCHEMBL4711796 0.78 AKR1C3 (0.62) TP53ALDH1A1CCR9SERPINE1SMN1; SMN2
SCHEMBL29362984 0.78 MAPT (0.50) TP53SLC10A6MAPTCCR9SMN1; SMN2
SCHEMBL18095007 0.78 MAPT (0.52) TP53MAPTALDH1A1LMNAGAA
SCHEMBL5022620 0.78 ALDH1A1 (0.53) TP53SLC10A6MAPTALDH1A1LMNA
SCHEMBL1016189 0.77 KDM4E (0.74) TP53ALDH1A1SERPINE1
SCHEMBL2470174 0.77 CCR9 (0.52) TP53SLC10A6MAPTALDH1A1LMNA
SCHEMBL14419538 0.76 HPGD (0.56) TP53MAPTALDH1A1LMNACCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1858520-A2 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2007-11-28 EP 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 (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-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H TP53 3228/4885SLC10A6 872/4885MAPT 1028/4885

“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.