SCHEMBL237477

SCHEMBL237477

CC(=O)c1cc([N+](=O)[O-])c(Cl)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
SLC9A1 P19634 1/20 0.46
VCAM1 P19320 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
RAF1 P04049 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
PAX8 Q06710 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
USP7 Q93009 2/20 0.38
USP47 Q96K76 1/20 0.38

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
SCHEMBL6586312 0.87 CA12 (0.46) CA12CA9SLC9A1VCAM1ALDH1A1
SCHEMBL31468684 0.87 CA12 (0.46) CA12CA9SLC9A1VCAM1ALDH1A1
SCHEMBL2924145 0.85 VCAM1 (0.45) CA12CA9SLC9A1VCAM1ALDH1A1
SCHEMBL241760 0.85 VCAM1 (0.45) CA12CA9SLC9A1VCAM1ALDH1A1
SCHEMBL11806953 0.84 CA12 (0.56) CA12CA9SLC9A1VCAM1ALDH1A1
SCHEMBL11758068 0.84 CA12 (0.56) CA12CA9SLC9A1VCAM1ALDH1A1
SCHEMBL5521904 0.84 TDP1 (0.44) CA12CA9VCAM1ALDH1A1CYP3A4
SCHEMBL20638881 0.83 KMT2A (0.49) CA12CA9SLC9A1VCAM1ALDH1A1
SCHEMBL3336950 0.83 TDP1 (0.47) CA12CA9SLC9A1VCAM1ALDH1A1
SCHEMBL241366 0.82 VCAM1 (0.42) CA12CA9SLC9A1VCAM1ALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
EP-2692346-B1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative ABBVIE BAHAMAS LTD (BS) 2015-12-02 EP disclosed
EP-2692726-A1 Anti-viral compounds Abbvie Inc. (US) 2014-02-05 EP disclosed
EP-2692346-A1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative Abbvie Inc. (US) 2014-02-05 EP disclosed
EP-2678334-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2014-01-01 EP disclosed
EP-2627651-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-08-21 EP disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 WO disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 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 (10 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS CA12 4401/4885CA9 4336/4885SLC9A1 4793/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA12 4401/4885CA9 4336/4885SLC9A1 4793/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA12 4401/4885CA9 4336/4885SLC9A1 4793/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA12 4401/4885CA9 4336/4885SLC9A1 4793/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA12 4401/4885CA9 4336/4885SLC9A1 4793/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA12 4401/4885CA9 4336/4885SLC9A1 4793/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA12 4401/4885CA9 4336/4885SLC9A1 4793/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA12 4401/4885CA9 4336/4885SLC9A1 4793/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA12 4401/4885CA9 4336/4885SLC9A1 4793/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS CA12 4401/4885CA9 4336/4885SLC9A1 4793/4885

“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.