SCHEMBL2773641

SCHEMBL2773641

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

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.67
▸ HTT P42858 2/20 0.67
▸ NPC1 O15118 1/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ HCAR3 P49019 9/20 0.64
▸ MAPT P10636 2/20 0.61
▸ ALDH1A1 P00352 3/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TSHR P16473 2/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ GLA P06280 1/20 0.48

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
SCHEMBL1955407 0.88 HCAR3 (0.61) LMNAHTTNPC1RAB9AHCAR3
SCHEMBL15618541 0.86 HTT (0.64) LMNAHTTNPC1RAB9AHCAR3
SCHEMBL1136265 0.80 HTT (0.56) LMNAHTTNPC1RAB9AMAPT
SCHEMBL30936624 0.80 HTT (0.56) LMNAHTTNPC1RAB9AMAPT
SCHEMBL2772069 0.79 HCAR3 (1.00) LMNAHTTNPC1RAB9AHCAR3
SCHEMBL16538184 0.79 HTT (0.54) LMNAHTTNPC1RAB9AHCAR3
Hydrochloric Acid SCHEMBL18339287 0.78 HCAR3 (0.97) LMNAHTTNPC1RAB9AHCAR3
SCHEMBL27671287 0.77 ALDH1A1 (0.53) LMNAHTTNPC1RAB9AMAPT
SCHEMBL1528453 0.77 HPGD (0.60) LMNAHTTNPC1RAB9AMAPT
SCHEMBL5242389 0.77 LMNA (0.50) LMNAHTTNPC1RAB9AMAPT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104478821-B Oxadiazole diaryl compounds 默克雪兰诺有限公司 2016-09-28 — — CN disclosed
EP-2193126-B1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO SA (CH) 2015-06-24 — — EP disclosed
EP-2193126-B1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO SA (CH) 2015-06-24 — — EP disclosed
US-8889668-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2014-11-18 — — US disclosed
US-8889668-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2014-11-18 — — US disclosed
US-8889668-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2014-11-18 — — US disclosed
US-20130109676-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA (CH) 2013-05-02 — — US disclosed
US-20130109676-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA (CH) 2013-05-02 — — US disclosed
US-20130109676-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA (CH) 2013-05-02 — — US disclosed
US-8404676-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2013-03-26 — — US disclosed
US-8404676-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2013-03-26 — — US disclosed
US-8404676-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2013-03-26 — — US disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 2010-12-02 — — US disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 2010-12-02 — — US disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 2010-12-02 — — US disclosed
EP-2193126-A1 OXADIAZOLE DIARYL COMPOUNDS Merck Serono S.A. (CH) 2010-06-09 — — EP disclosed
WO-2009043890-A1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO S.A. (CH) 2009-04-09 — — WO disclosed
WO-2009043890-A1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO S.A. (CH) 2009-04-09 — — 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-20100305104-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB LMNA 4666/4885HTT 3382/4885NPC1 4703/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB LMNA 4667/4885HTT 3344/4885NPC1 4599/4885

“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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