SCHEMBL2643882

SCHEMBL2643882

COc1ccccc1Oc1cc(Oc2cccnc2)cc(N)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
LMNA P02545 7/20 0.51
HTT P42858 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PIN1 Q13526 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL2644988 0.83 LMNA (0.45) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL2646859 0.76 L3MBTL1 (0.54) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL16198146 0.74 LMNA (0.57) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL11573009 0.74 ALDH1A1 (0.59) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL4801999 0.72 LMNA (0.57) ALDH1A1LMNAHTTSMN1; SMN2TSHR
SCHEMBL5565241 0.72 HTT (0.60) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL30166997 0.71 ALDH1A1 (0.60) ALDH1A1LMNAHTTSMN1; SMN2TSHR
SCHEMBL25191976 0.70 TDP1 (0.47) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL4130236 0.70 LMNA (0.62) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL22458928 0.70 LMNA (0.50) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2

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 ALDH1A1 1188/4885LMNA 3434/4885HTT 1433/4885

“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.