SCHEMBL5242389

SCHEMBL5242389

CN(c1ccc(Oc2ccccc2)cc1[N+](=O)[O-])C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 2/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ MGLL Q99685 1/20 0.36

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
SCHEMBL30936695 0.78 LMNA (0.49) LMNAHTTNPC1RAB9AALDH1A1
SCHEMBL30936624 0.77 HTT (0.56) LMNAHTTNPC1RAB9AALDH1A1
SCHEMBL1136265 0.77 HTT (0.56) LMNAHTTNPC1RAB9AALDH1A1
SCHEMBL2773641 0.77 LMNA (0.67) LMNAHTTNPC1RAB9AALDH1A1
SCHEMBL16538184 0.76 HTT (0.54) LMNAHTTNPC1RAB9AALDH1A1
SCHEMBL5905590 0.75 ALDH1A1 (0.49) LMNAHTTNPC1RAB9AALDH1A1
SCHEMBL2928299 0.74 MEN1 (0.40) LMNAHTTNPC1RAB9AALDH1A1
SCHEMBL27671287 0.74 ALDH1A1 (0.53) LMNAHTTNPC1RAB9AALDH1A1
SCHEMBL15618541 0.74 HTT (0.64) LMNAHTTNPC1RAB9AALDH1A1
SCHEMBL2934820 0.72 MEN1 (0.39) LMNAHTTNPC1RAB9AALDH1A1

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-1539708-B1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-12-26 — — EP disclosed
US-7115644-B2 Heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-10-03 — — US disclosed
EP-1539708-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-06-15 — — EP disclosed
US-20040192748-A1 Heterocyclic compounds BOEHRINGER INGELHEIM PARMACEUTICALS, INC. 2004-09-30 — — US disclosed
WO-2004024699-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-25 — — 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 (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-20040192748-A1 Heterocyclic compounds IL1B, CCL5, IL4 LMNA 900/4885HTT 3077/4885NPC1 1826/4885

“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.

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