SCHEMBL3481839

SCHEMBL3481839

O=C(O)Cn1nnc(-c2cccc(O)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.67
HPGD P15428 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.51
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL4024534 0.84 HPGD (0.76) RECQLHPGDMEN1KMT2AALDH1A1
SCHEMBL806074 0.84 RECQL (0.66) RECQLHPGDMEN1KMT2AALDH1A1
SCHEMBL12241709 0.83 TSHR (0.75) RECQLHPGDMEN1KMT2AALDH1A1
SCHEMBL18131039 0.75 MEN1 (0.62) RECQLHPGDMEN1KMT2AALDH1A1
SCHEMBL13917041 0.74 POLB (0.77) RECQLHPGDMEN1KMT2AALDH1A1
SCHEMBL17504554 0.74 MEN1 (0.65) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15653450 0.74 MEN1 (0.65) RECQLHPGDMEN1KMT2AALDH1A1
SCHEMBL14448884 0.73 MEN1 (0.60) RECQLHPGDMEN1KMT2AALDH1A1
SCHEMBL1628780 0.73 HSD17B2 (0.58) SMN1; SMN2RAB9ANPC1CYP2C9MAPK1
SCHEMBL12986809 0.72 ALOX5 (0.56) MEN1KMT2AHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348857-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8410284-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-04-02 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 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-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 RECQL 2854/4885HPGD 1395/4885MEN1 3565/4885

“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.