SCHEMBL1942913

SCHEMBL1942913

COCCn1c(C)nc2cc(C(=O)O)cc(OCc3ccccc3)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 2/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
STING1 Q86WV6 3/20 0.44
PTGER4 P35408 4/20 0.44
CYP2C19 P33261 2/20 0.44
EIF4EBP1 Q13541 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 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
SCHEMBL1943031 0.92 LMNA (0.46) GLP1RCYP1A2CYP3A4TSHRMAPK1
SCHEMBL5598558 0.91 PPARA (0.43) GLP1RCYP1A2CYP3A4STING1PTGER4
SCHEMBL1940860 0.90 BRD4 (0.45) GLP1RCYP1A2CYP3A4TSHRMAPK1
SCHEMBL5598194 0.88 PTGER4 (0.41) GLP1RPTGER4EIF4EBP1
SCHEMBL1940913 0.86 STING1 (0.40) GLP1RCYP1A2CYP3A4TSHRMAPK1
SCHEMBL1941058 0.84 CYP1A2 (0.44) CYP1A2CYP3A4TSHRMAPK1PTGER4
SCHEMBL1941549 0.81 CYP1A2 (0.47) CYP1A2CYP3A4TSHRMAPK1PTGER4
SCHEMBL14521393 0.81 PTGER4 (0.39) CYP1A2CYP3A4STING1PTGER4CYP2C19
SCHEMBL3960092 0.79 PTGER4 (0.43) PTGER4MEN1KMT2AALDH1A1KDM4E
SCHEMBL14522391 0.78 STING1 (0.42) STING1PTGER4ALDH1A1HPGDKDM4E

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 6 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
WO-2007072142-A2 BENZIMIDAZOLE-5-CARBOXAMIDE DERIVATIVES PFIZER JAPAN INC. (JP) 2007-06-28 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 GLP1R 1430/4885CYP1A2 1807/4885CYP3A4 804/4885

“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.