SCHEMBL752439

SCHEMBL752439

Cc1cnc(C(=O)c2ccc(F)cc2)c[n+]1[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.58
NPC1 O15118 5/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LTA4H P09960 1/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
P4HTM Q9NXG6 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
CXCR2 P25025 2/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
LTC4S Q16873 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 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
Acipimox SCHEMBL48922 0.74 HCAR2 (1.00) HCAR2P4HTMKDM4EALDH1A1LMNA
SCHEMBL12442577 0.74 HCAR2 (0.73) HCAR2ALDH1A1
Acipimox SCHEMBL29370131 0.74 HCAR2 (1.00) HCAR2P4HTMKDM4EALDH1A1LMNA
Acipimox SCHEMBL6057382 0.74 HCAR2 (1.00) HCAR2P4HTMKDM4EALDH1A1LMNA
SCHEMBL5655820 0.73 KDM4E (0.56) NPC1RXFP1LTA4HRAB9ASMN1; SMN2
SCHEMBL756842 0.73 NPC1 (0.60) NPC1RXFP1LTA4HRAB9ASMN1; SMN2
Acipimox SCHEMBL31290731 0.73 HCAR2 (0.96) HCAR2P4HTMKDM4EALDH1A1LMNA
Acipimox SCHEMBL28681646 0.73 HCAR2 (0.96) HCAR2P4HTMKDM4EALDH1A1LMNA
SCHEMBL5883522 0.73 HCAR2 (0.71) HCAR2LMNA
Acipimox SCHEMBL28986974 0.73 HCAR2 (0.96) HCAR2P4HTMKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT HCAR2 3958/4885NPC1 1838/4885RXFP1 4551/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HCAR2 3877/4885NPC1 2338/4885RXFP1 4067/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HCAR2 3877/4885NPC1 2338/4885RXFP1 4067/4885

“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.