SCHEMBL1802425

SCHEMBL1802425

O=C(c1ccccc1)c1ccc2nc(-c3ccc(C(=O)NCc4ccc5c(c4)OCO5)o3)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.52
MAPK1 P28482 5/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 3/20 0.50
TP53 P04637 2/20 0.50
POLB P06746 2/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
ALOX12 P18054 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MMP13 P45452 1/20 0.49
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.47
FAAH O00519 1/20 0.46

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
SCHEMBL1802423 0.93 MAPK1 (0.50) MAPK1HPGDKDM4ETP53POLB
SCHEMBL1800395 0.84 LMNA (0.51) CHEK2MAPK1HPGDKDM4ETP53
SCHEMBL1799138 0.84 HPGDS (0.55) CHEK2MAPK1HPGDKDM4ETP53
SCHEMBL1802421 0.79 SMN1; SMN2 (0.36) MAPK1HPGDKDM4ETP53POLB
SCHEMBL1799503 0.79 LMNA (0.48) CHEK2HPGDKDM4ETP53POLB
SCHEMBL1801137 0.78 ESR1 (0.59) CHEK2MAPK1HPGDKDM4EPOLB
SCHEMBL1800391 0.78 LMNA (0.51) MAPK1HPGDKDM4ETP53POLB
SCHEMBL1799137 0.77 KDM4E (0.49) MAPK1HPGDKDM4ETP53POLB
SCHEMBL1797691 0.77 CHEK2 (0.64) CHEK2HPGDPOLBMEN1KMT2A
SCHEMBL4925396 0.73 MEN1 (0.84) MAPK1HPGDPOLBTSHRLMNA

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
EP-1911755-B1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO LTD (JP) 2011-09-14 EP disclosed
US-7951956-B2 Benzoimidazole compound capable of inhibiting prostaglandin D synthetase TAIHO PHARMACEUTICALS CO., LTD. (JP) 2011-05-31 US disclosed
US-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-12 US disclosed
EP-1911755-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-16 EP 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-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE PTGS1, PTGIS, PTGES CHEK2 3558/4885MAPK1 612/4885HPGD 16/4885

“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.