SCHEMBL3585534

SCHEMBL3585534

N#CCCC1CCOc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
DPP4 P27487 1/20 0.34
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
HTR2A P28223 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB5 P28074 1/20 0.32

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
SCHEMBL29960320 1.00 KCNH2 (0.42) KCNH2MEN1KMT2AITGB2ICAM1
SCHEMBL625415 0.84 KCNH2 (0.39) KCNH2MEN1KMT2AITGB2ICAM1
SCHEMBL29960552 0.84 KCNH2 (0.39) KCNH2MEN1KMT2AITGB2ICAM1
SCHEMBL9772853 0.79 KCNH2 (0.44) KCNH2ITGB2ICAM1ITGALLMNA
SCHEMBL29960536 0.79 KCNH2 (0.44) KCNH2ITGB2ICAM1ITGALLMNA
SCHEMBL29960346 0.79 KCNH2 (0.44) KCNH2ITGB2ICAM1ITGALLMNA
SCHEMBL5174865 0.79 KCNH2 (0.44) KCNH2ITGB2ICAM1ITGALLMNA
Hydrochloric Acid SCHEMBL29960253 0.78 KCNH2 (0.44) KCNH2ITGB2ICAM1ITGALLMNA
Hydrochloric Acid SCHEMBL29960660 0.77 KCNH2 (0.44) KCNH2HTR2A
SCHEMBL2153529 0.75 KCNH2 (0.45) KCNH2MEN1KMT2A

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
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 KCNH2 2915/4885MEN1 2720/4885KMT2A 2633/4885

“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.