Sugi Predict

Sugi Predict / Compounds / SCHEMBL237004

SCHEMBL237004

SCHEMBL237004

O=[N+]([O-])c1cc([C@H]2CC[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2c2ccc(C3CCCCC3)cc2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ VCAM1 P19320 3/20 0.40
▸ MAPT P10636 5/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ KAT2B Q92831 1/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL238882 0.94 KAT2B (0.41) NPBWR1MCHR1VCAM1MAPTMAPK1
SCHEMBL240878 0.87 KAT2B (0.42) NPBWR1MCHR1VCAM1MAPTMAPK1
SCHEMBL241278 0.86 KMT2A (0.38) NPBWR1MCHR1VCAM1MAPTRAB9A
SCHEMBL239621 0.85 KMT2A (0.47) VCAM1MAPTMAPK1KMT2AMEN1
SCHEMBL240585 0.85 KAT2B (0.40) NPBWR1MCHR1VCAM1MAPTRAB9A
SCHEMBL1986316 0.85 MAPT (0.41) NPBWR1MCHR1VCAM1MAPTMAPK1
SCHEMBL16381590 0.85 SMN1; SMN2 (0.41) NPBWR1MCHR1VCAM1MAPTMAPK1
SCHEMBL2756454 0.85 SMN1; SMN2 (0.41) NPBWR1MCHR1VCAM1MAPTMAPK1
SCHEMBL240641 0.85 MAPT (0.41) NPBWR1MCHR1VCAM1MAPTMAPK1
SCHEMBL3265685 0.85 KAT2B (0.40) NPBWR1MCHR1VCAM1MAPTRAB9A

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US disclosed
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-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-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
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 — — US disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 — — EP disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 — — US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 — — US disclosed
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 — — EP disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 — — US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 — — US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 — — US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 — — US disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 — — WO 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885VCAM1 931/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885VCAM1 931/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885VCAM1 931/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885VCAM1 931/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885VCAM1 931/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885VCAM1 931/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885VCAM1 931/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885VCAM1 931/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885VCAM1 931/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885VCAM1 931/4885

“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.