Sugi Predict

Sugi Predict / Compounds / SCHEMBL241307

SCHEMBL241307

SCHEMBL241307

O=[N+]([O-])c1cc([C@H]2CC[C@H](c3cc([N+](=O)[O-])c(Cl)cc3F)N2c2cc(F)c(N3CCC4(CCCCC4)CC3)c(F)c2)c(F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MAPT P10636 7/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ NPBWR1 P48145 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MITF O75030 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL240827 0.95 FFAR4 (0.33) FFAR4ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL240305 0.90 ALDH1A1 (0.39) ALDH1A1CYP1A2POLBCYP2C9CYP2C19
SCHEMBL238468 0.90 ALDH1A1 (0.39) ALDH1A1CYP1A2POLBCYP2C9CYP2C19
SCHEMBL240067 0.86 NPBWR1 (0.34) ALDH1A1CYP1A2POLBCYP2C9CYP2C19
SCHEMBL240239 0.86 NPBWR1 (0.36) FFAR4ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL242330 0.85 FFAR4 (0.36) FFAR4ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL241269 0.84 ALDH1A1 (0.37) FFAR4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL240260 0.84 ALDH1A1 (0.37) FFAR4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL239795 0.83 GRM2 (0.35) FFAR4MAPTSMN1; SMN2LMNAMEN1
SCHEMBL241216 0.83 NPBWR1 (0.38) ALDH1A1CYP1A2POLBCYP2C9CYP2C19

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-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

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 FFAR4 4564/4885ALDH1A1 2858/4885CYP1A2 2958/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR4 4564/4885ALDH1A1 2858/4885CYP1A2 2958/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR4 4564/4885ALDH1A1 2858/4885CYP1A2 2958/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR4 4564/4885ALDH1A1 2858/4885CYP1A2 2958/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR4 4564/4885ALDH1A1 2858/4885CYP1A2 2958/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR4 4564/4885ALDH1A1 2858/4885CYP1A2 2958/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR4 4564/4885ALDH1A1 2858/4885CYP1A2 2958/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR4 4564/4885ALDH1A1 2858/4885CYP1A2 2958/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FFAR4 4564/4885ALDH1A1 2858/4885CYP1A2 2958/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS FFAR4 4564/4885ALDH1A1 2858/4885CYP1A2 2958/4885

“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.