SCHEMBL1482825

SCHEMBL1482825

O=C(O)c1ccc(-c2nnn[nH]2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 2/20 0.41
AXL P30530 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GRK6 P43250 1/20 0.40
RARB P10826 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
RORC P51449 4/20 0.37
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
NR4A2 P43354 1/20 0.36
TTR P02766 2/20 0.36
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
EIF4E P06730 1/20 0.35
PTPRC P08575 2/20 0.35

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
SCHEMBL1577476 0.87 PARP1 (0.40) SLC22A12TTR
SCHEMBL1482682 0.83 ALPL (0.43) LMNAHTTTTRPTPRC
SCHEMBL28403472 0.80 KDM4E (0.39) GRK6TTRPTPRC
SCHEMBL18688871 0.78 ALPL (0.32)
SCHEMBL28544292 0.78 ESR1 (0.44)
SCHEMBL3655049 0.77 TTR (0.42) AXLLMNAMAPK1TTRKDM4A
SCHEMBL1131458 0.77 ALPL (0.38)
SCHEMBL28213024 0.76 KDM4E (0.40) LMNAMAPK1HTTRAB9AKDM4C
SCHEMBL14213193 0.76 LMNA (0.57) ADH5AXLLMNAMAPK1HTT
SCHEMBL3663117 0.75 JAK2 (0.43) MAPK1KDM5AKDM4CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686312-A1 N- CYCLOPROPYL - N- PIPERIDINYLBENZAMIDES AS GPR119 MODULATORS Boehringer Ingelheim International GmbH (DE) 2014-01-22 EP disclosed
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
WO-2012123449-A1 N- CYCLOPROPYL - N- PIPERIDINYLBENZAMIDES AS GPR119 MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-20 WO disclosed
EP-2483247-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-08 EP disclosed
CN-102574812-A Novel benzimidazole derivatives and their use as FXR agonists HOFFMANN LA ROCHE 2012-07-11 CN disclosed
WO-2011039130-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-07 WO disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US 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-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 ADH5 384/4885AXL 2892/4885LMNA 2064/4885

“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.