Sugi Predict

Sugi Predict / Compounds / SCHEMBL4926495

SCHEMBL4926495

SCHEMBL4926495

O=[N+]([O-])c1cc(Cl)cc(CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TSHR P16473 3/20 0.42
▸ CYP19A1 P11511 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ S1PR4 O95977 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL31366655 1.00 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL5722747 0.90 TSHR (0.52) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL629543 0.86 CYP19A1 (0.48) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL2682001 0.86 CYP19A1 (0.54) ALDH1A1TSHRCYP19A1CYP1A2CYP2C9
SCHEMBL14784786 0.82 TSHR (0.56) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL29796201 0.82 TSHR (0.56) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL3912806 0.81 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL30313059 0.81 LOXL2 (0.52) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL9499200 0.81 HTT (0.48) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL8999894 0.81 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP19A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107295798-B Benzazepine dicarboxamide compound 豪夫迈·罗氏有限公司 2020-10-30 — — CN disclosed
EP-3265458-B1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-12-19 — — EP disclosed
US-9962389-B2 4-aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-08 — — US disclosed
EP-3265458-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2018-01-10 — — EP disclosed
US-9822065-B1 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-11-21 — — US disclosed
US-20170217949-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-03 — — US disclosed
US-9669034-B2 4-aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-06 — — US disclosed
US-9597333-B2 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-03-21 — — US disclosed
US-20170014423-A1 Benzazepine Dicarboxamide Compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-19 — — US disclosed
EP-2699554-B1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER IP GMBH (DE) 2016-11-02 — — EP disclosed
US-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-13 — — US disclosed
WO-2012160034-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 — — WO disclosed
WO-2012143399-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 — — WO disclosed
US-20080221210-A1 Thyroid Receptor Agonists KARO BIO AB (SE) 2008-09-11 — — US disclosed
US-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor KARO BIO AB (SE) 2008-01-03 — — US disclosed
CN-1933826-A Novel pharmaceutical compositions comprising agonists of the thyroid receptor KAROBIO AB (SE) 2007-03-21 — — CN disclosed
EP-1732532-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2006-12-20 — — EP disclosed
EP-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 — — EP disclosed
WO-2005092316-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2005-10-06 — — WO disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 — — 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 (5 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-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES PAH, NAT1, H1-5 ALDH1A1 179/4885TDP1 419/4885TSHR 1255/4885
US-20170014423-A1 Benzazepine Dicarboxamide Compounds TLR1, TLR4, TLR5 ALDH1A1 1999/4885TDP1 2974/4885TSHR 3053/4885
US-20080221210-A1 Thyroid Receptor Agonists TSHR, TRHR, THRA ALDH1A1 1818/4885TDP1 2479/4885TSHR 1/4885
US-20170217949-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP PAH, NAT1, SULT2A1 ALDH1A1 187/4885TDP1 815/4885TSHR 931/4885
US-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor TSHR, TRHR, THRA ALDH1A1 2530/4885TDP1 2781/4885TSHR 1/4885

“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.