Sugi Predict

Sugi Predict / Compounds / SCHEMBL1980351

SCHEMBL1980351

SCHEMBL1980351

Br[Zn]Cc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.47
▸ TAAR1 Q96RJ0 3/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ IDO1 P14902 4/20 0.44
▸ PYCR1 P32322 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ AGER Q15109 1/20 0.35
▸ APP P05067 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5201 0.74 IDO1 (0.48) TAAR1IDO1
SCHEMBL158407 0.74 TP53 (0.46) CYP2A6TAAR1IDO1ALDH1A1MAPK1
SCHEMBL4924208 0.74 IDO1 (0.48) CYP2A6TAAR1IDO1ALDH1A1
SCHEMBL1444597 0.74 IDO1 (0.48) CYP2A6TAAR1HTR2AIDO1ALDH1A1
SCHEMBL2821261 0.74 CYP2A6 (0.44) CYP2A6TAAR1HTR2AIDO1PYCR1
SCHEMBL4176273 0.74 CYP3A4 (0.42) IDO1PYCR1APP
SCHEMBL17596168 0.73 — —
SCHEMBL8275493 0.73 — —
SCHEMBL626076 0.71 TAAR1 (0.68) CYP2A6TAAR1HTR2AIDO1ALDH1A1
SCHEMBL3334615 0.71 CYP2A6 (0.57) CYP2A6TAAR1HTR2AIDO1ALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12502362-B2 Inhibitors of nucleotidyltransferase superfamily enzymes as antibiotics SAINT LOUIS UNIVERSITY (US) 2025-12-23 — — US disclosed
EP-3681883-B1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2024-02-21 — — EP disclosed
CN-111094278-B Diphenyl derivative and use thereof 诺华股份有限公司 2023-07-14 — — CN disclosed
EP-3681883-A1 DIPHENYL DERIVATIVES AND USES THEREOF Novartis AG (CH) 2020-07-22 — — EP disclosed
US-20200147086-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS SAINT LOUIS UNIVERSITY (US) 2020-05-14 — — US disclosed
US-10633350-B2 Diphenyl derivatives and uses thereof NOVARTIS AG (CH) 2020-04-28 — — US disclosed
WO-2020020816-A1 NOVEL TRIAZOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-01-30 — — WO disclosed
WO-2019053090-A1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-03-21 — — WO disclosed
US-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2019-03-14 — — US disclosed
WO-2018213378-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS SAINT LOUIS UNIVERSITY (US) 2018-11-22 — — WO disclosed
EP-3055314-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-09-12 — — EP disclosed
US-9458181-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-04 — — US disclosed
EP-3055314-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-08-17 — — EP disclosed
WO-2015054089-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 — — WO disclosed
US-20150099719-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2015-04-09 — — US disclosed
EP-2512245-B1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-07-23 — — EP disclosed
US-8664387-B2 Pyridoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-03-04 — — US disclosed
EP-2512245-A1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-10-24 — — EP disclosed
US-20120252828-A1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-10-04 — — US disclosed
WO-2011075371-A1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 — — 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 (6 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-20120252828-A1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRNA5 CYP2A6 497/4885TAAR1 118/4885HTR2A 70/4885
US-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF MYOF, NGF, MUSK CYP2A6 4296/4885TAAR1 4862/4885HTR2A 3862/4885
US-12502362-B2 Inhibitors of nucleotidyltransferase superfamily enzymes as antibiotics DNTT, APRT, RNGTT CYP2A6 3811/4885TAAR1 3228/4885HTR2A 4662/4885
US-10633350-B2 Diphenyl derivatives and uses thereof MYOF, NGF, MUSK CYP2A6 4296/4885TAAR1 4862/4885HTR2A 3862/4885
US-20200147086-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS DNTT, APRT, RNGTT CYP2A6 3811/4885TAAR1 3228/4885HTR2A 4662/4885
US-20150099719-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CYP2A6 3141/4885TAAR1 4771/4885HTR2A 4760/4885

“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.