SCHEMBL240689

SCHEMBL240689

O=[N+]([O-])c1cc([C@H]2CC[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2c2ccc(OCC(F)F)cc2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 4/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 2/20 0.34
KAT2B Q92831 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
VCAM1 P19320 3/20 0.34
RAF1 P04049 1/20 0.34
HPGD P15428 1/20 0.34
GFER P55789 1/20 0.34
PAX8 Q06710 1/20 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
SCHEMBL241050 0.86 MAPT (0.42) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A
SCHEMBL12469738 0.82 KMT2A (0.43) ALDH1A1POLBSMN1; SMN2KMT2AL3MBTL1
SCHEMBL239658 0.82 KMT2A (0.43) ALDH1A1POLBSMN1; SMN2KMT2AL3MBTL1
SCHEMBL240641 0.81 MAPT (0.41) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A
SCHEMBL1986316 0.81 MAPT (0.41) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A
SCHEMBL30554955 0.81 MAPT (0.41) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A
SCHEMBL240878 0.81 KAT2B (0.42) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A
SCHEMBL240751 0.81 SMN1; SMN2 (0.42) ALDH1A1KDM4ESMN1; SMN2KMT2AL3MBTL1
SCHEMBL238882 0.80 KAT2B (0.41) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A
SCHEMBL12684522 0.79 VCAM1 (0.40) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A

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 ALDH1A1 2858/4885KDM4E 2318/4885POLB 138/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885KDM4E 2318/4885POLB 138/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885KDM4E 2318/4885POLB 138/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885KDM4E 2318/4885POLB 138/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885KDM4E 2318/4885POLB 138/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885KDM4E 2318/4885POLB 138/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885KDM4E 2318/4885POLB 138/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885KDM4E 2318/4885POLB 138/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885KDM4E 2318/4885POLB 138/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885KDM4E 2318/4885POLB 138/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885KDM4E 2318/4885POLB 138/4885

“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.