Sugi Predict

Sugi Predict / Compounds / SCHEMBL237500

SCHEMBL237500

SCHEMBL237500

O=[N+]([O-])c1cc([C@H]2CC[C@H](c3cc([N+](=O)[O-])c(Cl)cc3F)N2c2cc(F)c(N3CCC(c4ccccc4)CC3)c(F)c2)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ FFAR2 O15552 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GPR174 Q9BXC1 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL237412 0.93 MAPT (0.37) MAPTMAPK1TDP1ALDH1A1POLB
SCHEMBL238392 0.90 MAPT (0.36) MAPTFFAR2MAPK1TDP1MEN1
SCHEMBL2279743 0.90 MAPT (0.35) MAPTFFAR2MAPK1TDP1MEN1
SCHEMBL236855 0.88 FFAR2 (0.36) MAPTFFAR2MAPK1TDP1IDO1
SCHEMBL241805 0.88 KMT2A (0.41) MAPTFFAR2IDO1ADRA2AADRA2B
SCHEMBL241269 0.87 ALDH1A1 (0.37) MAPTMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL240260 0.87 ALDH1A1 (0.37) MAPTMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL240800 0.87 HTT (0.43) MAPTTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL240764 0.87 GRM2 (0.39) MAPTMAPK1TDP1ALDH1A1
SCHEMBL240606 0.85 FFAR2 (0.38) MAPTFFAR2MAPK1TDP1MEN1

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 18 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 2833/4885FFAR2 4763/4885MAPK1 2093/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885FFAR2 4763/4885MAPK1 2093/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885FFAR2 4763/4885MAPK1 2093/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885FFAR2 4763/4885MAPK1 2093/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885FFAR2 4763/4885MAPK1 2093/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885FFAR2 4763/4885MAPK1 2093/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885FFAR2 4763/4885MAPK1 2093/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885FFAR2 4763/4885MAPK1 2093/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885FFAR2 4763/4885MAPK1 2093/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885FFAR2 4763/4885MAPK1 2093/4885

“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.