Sugi Predict

Sugi Predict / Compounds / SCHEMBL238042

SCHEMBL238042

SCHEMBL238042

O=[N+]([O-])c1cc([C@H]2CC[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2c2cc(F)c(N3C[C@H]4CCCC[C@H]4C3)c(F)c2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 5/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 5/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ CTDSP1 Q9GZU7 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
SCHEMBL242609 0.96 VCAM1 (0.36) VCAM1NPBWR1MCHR1KMT2AMEN1
SCHEMBL238260 0.88 NPBWR1 (0.43) VCAM1NPBWR1MCHR1KMT2AMEN1
SCHEMBL238422 0.87 MAPT (0.37) VCAM1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL240192 0.85 KMT2A (0.38) VCAM1NPBWR1MCHR1KMT2AMEN1
SCHEMBL18917619 0.84 VCAM1 (0.38) VCAM1NPBWR1MCHR1KMT2AMEN1
SCHEMBL239628 0.84 KMT2A (0.35) VCAM1NPBWR1MCHR1KMT2AMEN1
SCHEMBL238463 0.84 KMT2A (0.39) VCAM1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL238444 0.84 KMT2A (0.50) KMT2AMEN1L3MBTL1SMN1; SMN2MAPT
SCHEMBL240626 0.84 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL238459 0.83 VCAM1 (0.38) VCAM1NPBWR1MCHR1KMT2AMEN1

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-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
US-20170157104-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 VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885NPBWR1 4544/4885MCHR1 4556/4885

“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.