Sugi Predict

Sugi Predict / Compounds / SCHEMBL240239

SCHEMBL240239

SCHEMBL240239

O=[N+]([O-])c1cc([C@H]2CC[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2c2cc(F)c(N3CCC4(CCCCC4)CC3)c(F)c2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ VCAM1 P19320 3/20 0.35
▸ ABCC9 O60706 1/20 0.35
▸ ABCC8 Q09428 1/20 0.35
▸ KCNJ11 Q14654 1/20 0.35
▸ KCNJ8 Q15842 1/20 0.35
▸ MAPT P10636 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 3/20 0.33
▸ RECQL P46063 2/20 0.33

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
SCHEMBL242330 0.99 FFAR4 (0.36) NPBWR1MCHR1FFAR4VCAM1ABCC9
SCHEMBL239816 0.95 FFAR4 (0.37) NPBWR1MCHR1FFAR4VCAM1ABCC9
SCHEMBL238260 0.90 NPBWR1 (0.43) NPBWR1MCHR1VCAM1MAPTKMT2A
SCHEMBL238875 0.89 KMT2A (0.36) NPBWR1MCHR1VCAM1ABCC9ABCC8
SCHEMBL240748 0.89 KMT2A (0.35) NPBWR1MCHR1FFAR4VCAM1ABCC9
SCHEMBL240192 0.86 KMT2A (0.38) NPBWR1MCHR1VCAM1MAPTKMT2A
SCHEMBL240992 0.86 SMN1; SMN2 (0.39) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL241307 0.86 FFAR4 (0.32) NPBWR1MCHR1FFAR4MAPTKMT2A
SCHEMBL240525 0.85 KMT2A (0.39) VCAM1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL240093 0.84 KMT2A (0.39) VCAM1ABCC9ABCC8KCNJ11KCNJ8

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-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 NPBWR1 4544/4885MCHR1 4556/4885FFAR4 4564/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885FFAR4 4564/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885FFAR4 4564/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885FFAR4 4564/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885FFAR4 4564/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885FFAR4 4564/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885FFAR4 4564/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885FFAR4 4564/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885FFAR4 4564/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885FFAR4 4564/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885FFAR4 4564/4885

“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.