SCHEMBL2653100

SCHEMBL2653100

CC(OC(=O)c1cccc(N)c1)c1ccc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
ELANE P08246 1/20 0.40
PBRM1 Q86U86 1/20 0.40
NPC1 O15118 3/20 0.38
LMNA P02545 2/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CHRNB2 P17787 1/20 0.37

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
SCHEMBL29225329 0.83 TSHR (0.47) NPC1LMNAPOLBSMN1; SMN2RAB9A
SCHEMBL8930000 0.78 ELANE (0.56) ADRB2ADRB1ADRB3ELANEPBRM1
SCHEMBL27727174 0.71 PBRM1 (0.47) ADRB2ADRB1ADRB3ELANEPBRM1
SCHEMBL29836775 0.69 LOXL2 (0.61) ADRB2ADRB1ADRB3PBRM1NPC1
SCHEMBL134170 0.69 LOXL2 (0.61) ADRB2ADRB1ADRB3PBRM1NPC1
SCHEMBL20085587 0.69 PDCD1 (0.59) NPC1POLBSMN1; SMN2RAB9AMAPT
SCHEMBL8003710 0.69 PBRM1 (0.59) ADRB2ADRB1ADRB3PBRM1NPC1
SCHEMBL5195684 0.68 ADRB2 (0.67) ADRB2ADRB1ADRB3PBRM1NPC1
SCHEMBL14073819 0.68 MMP1 (0.39) SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2477797 0.68 LOXL2 (0.59) ADRB2ADRB1ADRB3PBRM1NPC1

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-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 WO 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 (2 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 ADRB2 44/4885ADRB1 45/4885ADRB3 39/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 ADRB2 41/4885ADRB1 43/4885ADRB3 32/4885

“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.