Sugi Predict

Sugi Predict / Compounds / SCHEMBL240819

SCHEMBL240819

SCHEMBL240819

Cc1c(Br)ccc([N+](=O)[O-])c1NC(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ AR P10275 5/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ PGR P06401 1/20 0.40
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CES2 O00748 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL25834987 0.81 AR (0.36) MEN1KMT2AARCYP3A4PGR
SCHEMBL26618577 0.78 KMT2A (0.45) MEN1KMT2AARPDK1PDK2
SCHEMBL15985062 0.75 ALDH1A1 (0.44) MEN1KMT2AARCYP3A4PGR
SCHEMBL29181806 0.73 MEN1 (0.44) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL29451808 0.71 PDK1 (0.50) ARCYP3A4PGRPDK1PDK2
SCHEMBL21247639 0.71 ALDH1A1 (0.59) MEN1KMT2AARCYP3A4PGR
SCHEMBL22499474 0.71 ALDH1A1 (0.50) MEN1KMT2AARCYP3A4PDK1
SCHEMBL1967675 0.71 ABL1 (0.48) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL25428522 0.70 TDP1 (0.40) MEN1KMT2AARCYP3A4PGR
SCHEMBL13922790 0.70 AR (0.41) MEN1KMT2AARCYP3A4PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174648-A1 Small Molecule Compound TECHNODERMA MEDICINES INC. (CN) 2024-05-30 — — US disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US disclosed
EP-4050009-A1 SMALL MOLECULE COMPOUND Technoderma Medicines Pte Ltd (CN) 2022-08-31 — — EP disclosed
WO-2021078023-A1 SMALL MOLECULE COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 — — WO disclosed
CN-110627775-A Small molecule compound 嘉兴特科罗生物科技有限公司 2019-12-31 — — CN 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-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-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 — — 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 (12 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 MEN1 4681/4885KMT2A 4093/4885AR 4581/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885AR 4581/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885AR 4581/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885AR 4581/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885AR 4581/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885AR 4581/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885AR 4581/4885
US-20240174648-A1 Small Molecule Compound JAK1, JAK2, TYK2 MEN1 1621/4885KMT2A 586/4885AR 2427/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885AR 4581/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885AR 4581/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885AR 4581/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885AR 4581/4885

“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.