Sugi Predict

Sugi Predict / Compounds / SCHEMBL242441

SCHEMBL242441

SCHEMBL242441

Cc1cc([N+](=O)[O-])ccc1N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.69
▸ ALDH1A1 P00352 10/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.62
▸ LMNA P02545 4/20 0.61
▸ PAX8 Q06710 3/20 0.61
▸ RECQL P46063 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ CYP1A2 P05177 4/20 0.60
▸ CYP3A4 P08684 4/20 0.60
▸ CYP2C19 P33261 4/20 0.60
▸ CYP2C9 P11712 3/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ MCOLN3 Q8TDD5 1/20 0.60
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ HTT P42858 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL6221391 1.00 GAA (0.69) GAAALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL7049102 0.94 GAA (0.60) GAAALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL21590163 0.87 LMNA (0.63) GAAALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL398803 0.86 ALDH1A1 (0.61) GAAALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL30410222 0.86 ALDH1A1 (0.61) GAAALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL7987896 0.86 ADRB1 (0.52) GAAALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL5765261 0.85 GAA (0.62) GAAALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL10126825 0.84 GAA (0.51) GAAALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL10126926 0.84 ALDH1A1 (0.69) GAAALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL899660 0.84 ADRB1 (0.58) GAAALDH1A1LMNACYP1A2CYP3A4

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 30 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
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-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-09-28 — — 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-A1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative Abbvie Inc. (US) 2014-02-05 — — EP disclosed
EP-2678334-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2014-01-01 — — EP disclosed
EP-2627651-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-08-21 — — EP disclosed
CN-103153988-A Antiviral compounds ABBVIE INC 2013-06-12 — — CN disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 — — US disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 — — WO disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 — — WO 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 GAA 223/4885ALDH1A1 2858/4885SMN1; SMN2 4141/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GAA 223/4885ALDH1A1 2858/4885SMN1; SMN2 4141/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GAA 223/4885ALDH1A1 2858/4885SMN1; SMN2 4141/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GAA 223/4885ALDH1A1 2858/4885SMN1; SMN2 4141/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GAA 223/4885ALDH1A1 2858/4885SMN1; SMN2 4141/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GAA 223/4885ALDH1A1 2858/4885SMN1; SMN2 4141/4885
US-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS AR, UTS2R, SHBG GAA 2300/4885ALDH1A1 1583/4885SMN1; SMN2 3381/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GAA 223/4885ALDH1A1 2858/4885SMN1; SMN2 4141/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GAA 223/4885ALDH1A1 2858/4885SMN1; SMN2 4141/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GAA 223/4885ALDH1A1 2858/4885SMN1; SMN2 4141/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS GAA 223/4885ALDH1A1 2858/4885SMN1; SMN2 4141/4885

“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.