Sugi Predict

Sugi Predict / Compounds / SCHEMBL238014

SCHEMBL238014

SCHEMBL238014

CC(C)(C)C1CCN(c2c(F)cc(N3[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)CC[C@@H]3c3ccc(Cl)c([N+](=O)[O-])c3)cc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 8/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ VCAM1 P19320 3/20 0.34
▸ LMNA P02545 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ RECQL P46063 1/20 0.32

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
SCHEMBL240411 0.91 KMT2A (0.35) MEN1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL240626 0.89 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL240192 0.89 KMT2A (0.38) MEN1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL238260 0.87 NPBWR1 (0.43) MEN1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL240417 0.86 VCAM1 (0.36) MEN1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL240686 0.85 MAPT (0.36) MEN1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL239304 0.85 MAPT (0.37) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL21641848 0.85 KMT2A (0.35) MEN1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL240748 0.85 KMT2A (0.35) MEN1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL238444 0.85 KMT2A (0.50) MEN1KMT2AL3MBTL1SMN1; SMN2MAPT

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 MEN1 4681/4885KMT2A 4093/4885L3MBTL1 2364/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885L3MBTL1 2364/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885L3MBTL1 2364/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885L3MBTL1 2364/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885L3MBTL1 2364/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885L3MBTL1 2364/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885L3MBTL1 2364/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885L3MBTL1 2364/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885L3MBTL1 2364/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885L3MBTL1 2364/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885L3MBTL1 2364/4885

“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.