SCHEMBL1940964

SCHEMBL1940964

COCCn1c(C)nc2cc(C(=O)OC)cc(O)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
PTGER4 P35408 3/20 0.42
TLR7 Q9NYK1 2/20 0.42
GAA P10253 3/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.42
XDH P47989 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.40
PKM P14618 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 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
SCHEMBL3960092 0.89 PTGER4 (0.43) KDM4EPTGER4POLBALDH1A1KMT2A
SCHEMBL1943217 0.85 PTGER4 (0.44) KDM4EPTGER4TLR7LMNATDP1
SCHEMBL1942259 0.81 PTGER4 (0.35) KDM4EPTGER4TLR7LMNATDP1
SCHEMBL1943031 0.78 LMNA (0.46) KDM4EPTGER4TLR7GAALMNA
SCHEMBL1941310 0.74 KDM4E (0.36) KDM4EPTGER4TLR7LMNAALDH1A1
SCHEMBL29832637 0.69 LMNA (0.46) KDM4EGAAPOLBLMNAXDH
SCHEMBL28582556 0.69 LMNA (0.46) KDM4EGAAPOLBLMNAXDH
SCHEMBL1942913 0.69 GLP1R (0.45) KDM4EPTGER4GAALMNAALDH1A1
SCHEMBL2362229 0.68 KDM4E (0.58) KDM4EPTGER4TLR7GAAALDH1A1
SCHEMBL11374354 0.67 KDM4E (0.81) KDM4EPTGER4GAAPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466166-B2 Benzimidazole derivatives as selective acid pump inhibitors RAQUALIA PHARMA INC. (JP) 2013-06-18 US disclosed
EP-2081939-B1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE ACID PUMP INHIBITORS RAQUALIA PHARMA INC (JP) 2011-06-15 EP disclosed
US-20100048532-A1 Benzimidazole Derivatives as Selective Acid Pump Inhibitors RAQUALIA PHARMA INC. (JP) 2010-02-25 US disclosed
EP-2081939-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE ACID PUMP INHIBITORS RaQualia Pharma Inc (JP) 2009-07-29 EP disclosed
WO-2008035195-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE ACID PUMP INHIBITORS RAQUALIA PHARMA INC. (JP) 2008-03-27 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-20100048532-A1 Benzimidazole Derivatives as Selective Acid Pump Inhibitors HRH2, HRH4, HRH1 KDM4E 4217/4885PTGER4 39/4885TLR7 2369/4885

“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.