SCHEMBL5783408

SCHEMBL5783408

COCCOC(=O)c1ccc(Nc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.48
BCL2L1 Q07817 1/20 0.48
THRB P10828 1/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
PTGER4 P35408 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
MGLL Q99685 3/20 0.41
MET P08581 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AKR1C4 P17516 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C1 Q04828 2/20 0.40

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
SCHEMBL5781737 0.91 MAPT (0.49) BCL2BCL2L1THRBMAPTALDH1A1
SCHEMBL2650623 0.90 MAPT (0.49) BCL2L1THRBMAPTALDH1A1PTGER4
SCHEMBL5781904 0.89 MAPT (0.43) BCL2BCL2L1THRBMAPTALDH1A1
SCHEMBL2651871 0.88 ALDH1A1 (0.48) THRBMAPTALDH1A1LMNAPTGER4
SCHEMBL2651579 0.87 GPR119 (0.44) MAPTALDH1A1LMNAPTGER4GPR119
SCHEMBL2652424 0.87 MAPT (0.42) BCL2BCL2L1MAPTALDH1A1LMNA
SCHEMBL2661798 0.86 MAPT (0.48) THRBMAPTALDH1A1LMNAPTGER4
SCHEMBL2661830 0.85 MAPT (0.45) THRBMAPTALDH1A1LMNAPTGER4
SCHEMBL5781910 0.84 MAPT (0.41) THRBMAPTALDH1A1PTGER4RAB9A
SCHEMBL2650643 0.84 MAPT (0.44) THRBMAPTALDH1A1LMNAPTGER4

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 5 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

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 BCL2 682/4885BCL2L1 1317/4885THRB 1808/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 BCL2 608/4885BCL2L1 1238/4885THRB 1941/4885

“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.