SCHEMBL1940913

SCHEMBL1940913

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.40
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP2C19 P33261 3/20 0.38
GYS1 P13807 1/20 0.38
GLP1R P43220 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1940860 0.90 BRD4 (0.45) STING1CYP1A2CYP3A4TSHRMAPK1
SCHEMBL1942913 0.86 GLP1R (0.45) STING1CYP1A2CYP3A4TSHRMAPK1
SCHEMBL1943031 0.84 LMNA (0.46) STING1CYP1A2CYP3A4TSHRMAPK1
SCHEMBL14521332 0.84 MAPK14 (0.40)
SCHEMBL1942259 0.81 PTGER4 (0.35) CYP1A2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL14521393 0.81 PTGER4 (0.39) STING1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL14521925 0.80 PTGER4 (0.44) STING1CYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL14522388 0.80 KMT2A (0.35) STING1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL5598558 0.78 PPARA (0.43) STING1CYP1A2CYP3A4CYP2C19GLP1R
SCHEMBL14521924 0.78 PTGER4 (0.42) STING1CYP1A2ALDH1A1HTTLTB4R

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
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
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 STING1 1790/4885CYP1A2 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.