SCHEMBL12468432

SCHEMBL12468432

COC(=O)CCCCC(=O)Nc1cc(Br)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
KDM4E B2RXH2 5/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 4/20 0.52
HPGD P15428 2/20 0.49
ACLY P53396 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KCNK2 O95069 1/20 0.43
KCNK10 P57789 1/20 0.43
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
PTPRC P08575 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL12681646 0.84 KDM4E (0.52) POLBKDM4ETDP1ALDH1A1HPGD
SCHEMBL25556234 0.81 HPGD (0.58) POLBKDM4ETDP1ALDH1A1HPGD
SCHEMBL29895856 0.81 HPGD (0.58) POLBKDM4ETDP1ALDH1A1HPGD
SCHEMBL18499372 0.81 POLB (0.57) POLBKDM4ETDP1ALDH1A1HPGD
SCHEMBL718330 0.79 HDAC3 (0.61) POLBKDM4ETDP1ALDH1A1HPGD
SCHEMBL11776401 0.76 ALDH1A1 (0.69) POLBKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL2260906 0.76 ALDH1A1 (0.51) POLBKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL719005 0.75 KDM4E (0.57) POLBKDM4EHPGDSMN1; SMN2MEN1
SCHEMBL31635267 0.75 MEN1 (0.53) POLBTDP1ALDH1A1L3MBTL1MEN1
SCHEMBL3915465 0.74 ALDH1A1 (0.61) POLBKDM4EALDH1A1ACLYNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627178-B1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed
US-8927559-B2 Quinazolinone-type compounds as CRTH2 antagonists MERCK SHARP & DOHME CORP. (US) 2015-01-06 US disclosed
US-8927559-B2 Quinazolinone-type compounds as CRTH2 antagonists MERCK SHARP & DOHME CORP. (US) 2015-01-06 US disclosed
US-8927559-B2 Quinazolinone-type compounds as CRTH2 antagonists MERCK SHARP & DOHME CORP. (US) 2015-01-06 US disclosed
EP-2627178-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-08-21 EP disclosed
US-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
WO-2012051036-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-04-19 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-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, NR3C2, HRH1 POLB 4536/4885KDM4E 4309/4885TDP1 4803/4885

“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.