SCHEMBL1974540

SCHEMBL1974540

Oc1ccc(OCCOCc2ccccc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NAAA Q02083 1/20 0.43
DEGS1 O15121 1/20 0.40
LTA4H P09960 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
FFAR1 O14842 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL30454012 0.84 CYP1A2 (0.55) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL198499 0.84 CYP1A2 (0.55) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL1927115 0.83 GABRA5 (0.44) TSHRLMNANAAALTA4HHRH4
SCHEMBL12659903 0.83 TSHR (0.42) TSHRCYP1A2CYP2C19NAAALTA4H
SCHEMBL20120516 0.81 NAAA (0.44) TSHRNAAALTA4HHRH4HRH3
Alcohol SCHEMBL29161613 0.79 FFAR1 (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL13518503 0.78 MAPT (0.41) LTA4HMAPT
SCHEMBL10700963 0.78 TSHR (0.48) TSHRLMNACYP2C19NAAALTA4H
SCHEMBL14659339 0.77 GABRA5 (0.49) LMNAL3MBTL1NPC1ALDH1A1POLB
SCHEMBL3514036 0.76 FEN1 (0.44) TSHRNAAAHRH4HRH3MAOA

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-8609699-B2 Oxotetrahydrofuran-2-yl-benzimidazole derivative MSD K.K. (JP) 2013-12-17 US disclosed
EP-2328892-B1 OXOTETRAHYDROFURAN-2-YL-BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2013-01-16 EP disclosed
US-20110144162-A1 OXOTETRAHYDROFURAN-2-YL-BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
EP-2328892-A1 OXOTETRAHYDROFURAN-2-YL-BENZIMIDAZOLE DERIVATIVE MSD K.K. (JP) 2011-06-08 EP disclosed
WO-2010024110-A1 OXOTETRAHYDROFURAN-2-YL-BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-03-04 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-20110144162-A1 OXOTETRAHYDROFURAN-2-YL-BENZIMIDAZOLE DERIVATIVE GCK, GCKR, KHK TSHR 1159/4885LMNA 4457/4885CYP1A2 377/4885

“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.