SCHEMBL238459

SCHEMBL238459

C[C@@H]1CCC[C@H](C)N1c1c(F)cc(N2[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.38
ACHE P22303 1/20 0.37
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
GRM4 Q14833 1/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 3/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL240626 0.85 ALDH1A1 (0.44) KMT2AMAPTMEN1MAPK1LMNA
SCHEMBL238260 0.85 NPBWR1 (0.43) VCAM1NPBWR1MCHR1KMT2AMAPT
SCHEMBL238422 0.85 MAPT (0.37) VCAM1KMT2AMAPTMEN1KDM4E
SCHEMBL239628 0.83 KMT2A (0.35) VCAM1NPBWR1MCHR1KMT2AMAPT
SCHEMBL238042 0.83 VCAM1 (0.37) VCAM1NPBWR1MCHR1KMT2AMAPT
SCHEMBL242322 0.83 KAT2B (0.40) VCAM1NPBWR1MCHR1KMT2AMAPT
SCHEMBL242609 0.83 VCAM1 (0.36) VCAM1NPBWR1MCHR1KMT2AMAPT
SCHEMBL240192 0.83 KMT2A (0.38) VCAM1NPBWR1MCHR1KMT2AMAPT
SCHEMBL241163 0.82 MAPT (0.37) VCAM1NPBWR1MCHR1KMT2AMAPT
SCHEMBL240276 0.82 CNR1 (0.39) VCAM1NPBWR1MCHR1KMT2AMAPT

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-2692346-A1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative Abbvie Inc. (US) 2014-02-05 EP disclosed
EP-2692726-A1 Anti-viral compounds 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 VCAM1 931/4885ACHE 3715/4885NPBWR1 4544/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ACHE 3715/4885NPBWR1 4544/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ACHE 3715/4885NPBWR1 4544/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ACHE 3715/4885NPBWR1 4544/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ACHE 3715/4885NPBWR1 4544/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ACHE 3715/4885NPBWR1 4544/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ACHE 3715/4885NPBWR1 4544/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ACHE 3715/4885NPBWR1 4544/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ACHE 3715/4885NPBWR1 4544/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ACHE 3715/4885NPBWR1 4544/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885ACHE 3715/4885NPBWR1 4544/4885

“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.