SCHEMBL2645587

SCHEMBL2645587

O=C1OCCN1c1ccc(O)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.39
ME2 P23368 6/20 0.38
ME1 P48163 6/20 0.38
ME3 Q16798 6/20 0.38
PIM1 P11309 2/20 0.38
EED O75530 1/20 0.38
SUZ12 Q15022 1/20 0.38
EZH2 Q15910 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
FAAH O00519 1/20 0.36
NAAA Q02083 1/20 0.36
IDH1 O75874 3/20 0.36
GRM5 P41594 3/20 0.35
TYK2 P29597 1/20 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
SCHEMBL14923656 0.82 GRIN2D (0.41) MAP4K1PIM1EEDSUZ12EZH2
SCHEMBL411695 0.81 AKR1C3 (0.46) MAP4K1PIM1EEDSUZ12EZH2
SCHEMBL13424162 0.81 IDH1 (0.38) MAP4K1PIM1EEDSUZ12EZH2
SCHEMBL9964663 0.81 DGAT1 (0.40) PIM1IDH1GRM5
SCHEMBL17221105 0.80 VHL (0.38) MAP4K1PIM1EEDSUZ12EZH2
SCHEMBL17221384 0.78 KCNJ1 (0.43) MAP4K1PIM1EEDSUZ12EZH2
SCHEMBL17232492 0.77 HRH3 (0.38) MAP4K1PIM1EEDSUZ12EZH2
SCHEMBL14946762 0.77 DGAT1 (0.43) MAP4K1PIM1IDH1GRM5
SCHEMBL28941034 0.77 MAPT (0.44) MAP4K1
SCHEMBL14910347 0.76 ALDH1A1 (0.59)

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
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 MAP4K1 675/4885ME2 61/4885ME1 111/4885

“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.