SCHEMBL241050

SCHEMBL241050

CCOc1ccc(N2[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.42
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 7/20 0.41
LMNA P02545 3/20 0.41
VCAM1 P19320 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX12 P18054 1/20 0.39
HPGD P15428 2/20 0.38
PLIN1 O60240 1/20 0.38
GAA P10253 1/20 0.38
PLIN5 Q00G26 1/20 0.38

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
SCHEMBL240689 0.86 ALDH1A1 (0.36) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL12469738 0.85 KMT2A (0.43) MAPTALDH1A1LMNAVCAM1MEN1
SCHEMBL239658 0.85 KMT2A (0.43) MAPTALDH1A1LMNAVCAM1MEN1
SCHEMBL18653275 0.85 ALDH1A1 (0.46) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL239694 0.84 MAPT (0.36) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL12404715 0.83 SMN1; SMN2 (0.41) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL16381590 0.83 SMN1; SMN2 (0.41) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL2756454 0.83 SMN1; SMN2 (0.41) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL240878 0.83 KAT2B (0.42) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL240751 0.83 SMN1; SMN2 (0.42) MAPTMAPK1KDM4EALDH1A1LMNA

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-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 MAPT 2833/4885MAPK1 2093/4885KDM4E 2318/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885MAPK1 2093/4885KDM4E 2318/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885MAPK1 2093/4885KDM4E 2318/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885MAPK1 2093/4885KDM4E 2318/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885MAPK1 2093/4885KDM4E 2318/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885MAPK1 2093/4885KDM4E 2318/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885MAPK1 2093/4885KDM4E 2318/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885MAPK1 2093/4885KDM4E 2318/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885MAPK1 2093/4885KDM4E 2318/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885MAPK1 2093/4885KDM4E 2318/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885MAPK1 2093/4885KDM4E 2318/4885

“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.