SCHEMBL240770

SCHEMBL240770

O=[N+]([O-])c1cc([C@H]2CC[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2c2ccc(OC3CCCC3)c(F)c2)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.36
PDE4B Q07343 1/20 0.35
VCAM1 P19320 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
KMT2A Q03164 4/20 0.34
PPOX P50336 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KAT2B Q92831 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL242322 0.85 KAT2B (0.40) VCAM1NPBWR1MCHR1KMT2AKDM4E
SCHEMBL240276 0.84 CNR1 (0.39) VCAM1NPBWR1MCHR1KMT2AKDM4E
SCHEMBL241278 0.82 KMT2A (0.38) VCAM1NPBWR1MCHR1KMT2AKDM4E
SCHEMBL1986316 0.79 MAPT (0.41) VCAM1NPBWR1MCHR1KMT2AKDM4E
SCHEMBL240641 0.79 MAPT (0.41) VCAM1NPBWR1MCHR1KMT2AKDM4E
SCHEMBL30554955 0.79 MAPT (0.41) VCAM1NPBWR1MCHR1KMT2AKDM4E
SCHEMBL240079 0.79 MAPK1 (0.46) NPBWR1MCHR1KMT2AMEN1LMNA
SCHEMBL239319 0.78 NOTUM (0.36) VCAM1NPBWR1MCHR1KMT2AKDM4E
SCHEMBL238247 0.78 KAT2B (0.37) VCAM1NPBWR1MCHR1KMT2AKDM4E
SCHEMBL241163 0.78 MAPT (0.37) VCAM1NPBWR1MCHR1KMT2AKDM4E

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 19 patents. 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
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US 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
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US 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 (11 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 PDE5A 4013/4885PDE4B 3173/4885VCAM1 931/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PDE5A 4013/4885PDE4B 3173/4885VCAM1 931/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PDE5A 4013/4885PDE4B 3173/4885VCAM1 931/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PDE5A 4013/4885PDE4B 3173/4885VCAM1 931/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PDE5A 4013/4885PDE4B 3173/4885VCAM1 931/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PDE5A 4013/4885PDE4B 3173/4885VCAM1 931/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PDE5A 4013/4885PDE4B 3173/4885VCAM1 931/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PDE5A 4013/4885PDE4B 3173/4885VCAM1 931/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PDE5A 4013/4885PDE4B 3173/4885VCAM1 931/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PDE5A 4013/4885PDE4B 3173/4885VCAM1 931/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS PDE5A 4013/4885PDE4B 3173/4885VCAM1 931/4885

“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.