Sugi Predict

Sugi Predict / Compounds / SCHEMBL240276

SCHEMBL240276

SCHEMBL240276

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.39
▸ KAT2B Q92831 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ VCAM1 P19320 6/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPBWR1 P48145 1/20 0.37

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 0.94 KAT2B (0.40) KAT2BKMT2AKDM4ELMNAALDH1A1
SCHEMBL240641 0.88 MAPT (0.41) KAT2BKMT2AKDM4ELMNAALDH1A1
SCHEMBL1986316 0.88 MAPT (0.41) KAT2BKMT2AKDM4ELMNAALDH1A1
SCHEMBL30554955 0.88 MAPT (0.41) KAT2BKMT2AKDM4ELMNAALDH1A1
SCHEMBL240878 0.87 KAT2B (0.42) KAT2BKMT2AKDM4ELMNAALDH1A1
SCHEMBL238247 0.87 KAT2B (0.37) KAT2BKMT2AKDM4ELMNAALDH1A1
SCHEMBL241163 0.86 MAPT (0.37) KAT2BKMT2AKDM4ELMNAALDH1A1
SCHEMBL241278 0.86 KMT2A (0.38) KAT2BKMT2AKDM4ELMNAALDH1A1
SCHEMBL240377 0.86 VCAM1 (0.38) KAT2BKMT2AKDM4ELMNAALDH1A1
SCHEMBL240079 0.85 MAPK1 (0.46) KMT2ALMNAALDH1A1MEN1L3MBTL1

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-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 CNR1 2914/4885KAT2B 3072/4885KMT2A 4093/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CNR1 2914/4885KAT2B 3072/4885KMT2A 4093/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CNR1 2914/4885KAT2B 3072/4885KMT2A 4093/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CNR1 2914/4885KAT2B 3072/4885KMT2A 4093/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CNR1 2914/4885KAT2B 3072/4885KMT2A 4093/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CNR1 2914/4885KAT2B 3072/4885KMT2A 4093/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CNR1 2914/4885KAT2B 3072/4885KMT2A 4093/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CNR1 2914/4885KAT2B 3072/4885KMT2A 4093/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CNR1 2914/4885KAT2B 3072/4885KMT2A 4093/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CNR1 2914/4885KAT2B 3072/4885KMT2A 4093/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS CNR1 2914/4885KAT2B 3072/4885KMT2A 4093/4885

“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.