Sugi Predict

Sugi Predict / Compounds / SCHEMBL237400

SCHEMBL237400

SCHEMBL237400

O=[N+]([O-])c1cc([C@H]2CC[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2c2cc(Cl)c(N3CCCCC3)c(Cl)c2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ ALDH1A1 P00352 8/20 0.43
▸ POLB P06746 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ VCAM1 P19320 1/20 0.43
▸ MAPT P10636 6/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL238260 0.90 NPBWR1 (0.43) NPBWR1MCHR1ALDH1A1POLBCYP1A2
SCHEMBL20694987 0.86 HPGD (0.36) NPBWR1MCHR1ALDH1A1POLBCYP1A2
SCHEMBL239921 0.85 NPBWR1 (0.44) NPBWR1MCHR1ALDH1A1POLBCYP1A2
SCHEMBL241216 0.84 NPBWR1 (0.38) NPBWR1MCHR1ALDH1A1POLBCYP1A2
SCHEMBL239315 0.84 HPGD (0.48) NPBWR1MCHR1ALDH1A1POLBCYP1A2
SCHEMBL1985463 0.84 NPBWR1 (0.46) NPBWR1MCHR1ALDH1A1POLBCYP1A2
SCHEMBL2368767 0.82 MAPT (0.46) NPBWR1MCHR1ALDH1A1POLBVCAM1
SCHEMBL240079 0.82 MAPK1 (0.46) NPBWR1MCHR1ALDH1A1POLBCYP1A2
SCHEMBL240192 0.81 KMT2A (0.38) NPBWR1MCHR1ALDH1A1POLBVCAM1
SCHEMBL240242 0.81 ALDH1A1 (0.41) NPBWR1MCHR1ALDH1A1POLBCYP1A2

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 17 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
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

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 NPBWR1 4544/4885MCHR1 4556/4885ALDH1A1 2858/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885ALDH1A1 2858/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885ALDH1A1 2858/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885ALDH1A1 2858/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885ALDH1A1 2858/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885ALDH1A1 2858/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885ALDH1A1 2858/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885ALDH1A1 2858/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885ALDH1A1 2858/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS NPBWR1 4544/4885MCHR1 4556/4885ALDH1A1 2858/4885

“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.