SCHEMBL1801027

SCHEMBL1801027

CCOC(=O)c1oc(N2CCCC2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CD O00329 2/20 0.38
BRD4 O60885 2/20 0.38
PIK3R2 O00459 1/20 0.38

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
SCHEMBL1801700 0.80 KMT2A (0.46) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL27965521 0.78 MEN1 (0.45) ALDH1A1L3MBTL1LMNAKDM4EKMT2A
SCHEMBL5548523 0.73 KDM4E (0.50) ALDH1A1L3MBTL1LMNAKDM4EKMT2A
SCHEMBL21523685 0.72 KMT2A (0.48) ALDH1A1L3MBTL1LMNAKDM4EKMT2A
SCHEMBL27629281 0.71 L3MBTL1 (0.49) ALDH1A1L3MBTL1LMNAKDM4ENPC1
SCHEMBL3226975 0.71 L3MBTL1 (0.49) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL20190382 0.71 HDAC4 (0.49) ALDH1A1L3MBTL1LMNAKDM4EKMT2A
SCHEMBL4771465 0.70 L3MBTL1 (0.48) ALDH1A1L3MBTL1KDM4EKMT2ANPC1
SCHEMBL4772783 0.69 L3MBTL1 (0.47) ALDH1A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL3618606 0.68 NPC1 (0.62) ALDH1A1L3MBTL1KDM4EKMT2AMEN1

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 ALDH1A1 368/4885L3MBTL1 3889/4885LMNA 3021/4885

“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.