SCHEMBL2470174

SCHEMBL2470174

O=C(c1ccc(Br)cc1)c1cc(Cl)ccc1NC(=O)n1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.52
SLC10A6 Q3KNW5 1/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
BACE1 P56817 1/20 0.42
LMNA P02545 2/20 0.42
SERPINE1 P05121 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2468748 0.90 MAPT (0.46) CCR9TP53MAPTALDH1A1LMNA
SCHEMBL2468850 0.89 MAPT (0.56) TP53MAPTALDH1A1GAALMNA
SCHEMBL2880280 0.77 TP53 (0.60) CCR9SLC10A6TP53MAPTALDH1A1
SCHEMBL2469763 0.76 CYP19A1 (0.43) TP53MAPTALDH1A1GAALMNA
SCHEMBL9541529 0.72 CYP19A1 (0.59) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL10662282 0.71 KMT2A (0.53) ALDH1A1GAALMNA
SCHEMBL4808545 0.70 CYP19A1 (0.48) MAPTALDH1A1GAALMNA
SCHEMBL8258036 0.70 SLC10A6 (0.50) CCR9SLC10A6TP53MAPTALDH1A1
SCHEMBL343170 0.68 CCR9 (1.00) CCR9SLC10A6TP53MAPTLMNA
SCHEMBL11767236 0.68 KMT2A (0.56) MAPTALDH1A1GAALMNASMN1; SMN2

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 12 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 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-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-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
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 (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 CCR9 3907/4885SLC10A6 872/4885TP53 3228/4885
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H CCR9 3907/4885SLC10A6 872/4885TP53 3228/4885

“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.