Sugi Predict

Sugi Predict / Compounds / SCHEMBL1494433

SCHEMBL1494433

SCHEMBL1494433

O=[N+]([O-])c1cc(Cl)cc(Br)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ TSHR P16473 4/20 0.46
▸ VCAM1 P19320 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ TXNRD1 Q16881 1/20 0.46
▸ TXNRD3 Q86VQ6 1/20 0.46
▸ TXNRD2 Q9NNW7 1/20 0.46
▸ PDE7A Q13946 3/20 0.45
▸ PDE7B Q9NP56 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TTR P02766 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
SCHEMBL9452603 0.84 TSHR (0.59) GPR35ALDH1A1TSHRVCAM1CYP3A4
SCHEMBL9859482 0.82 ALDH1A1 (0.63) GPR35ALDH1A1TSHRVCAM1CYP3A4
SCHEMBL202693 0.82 ALDH1A1 (0.63) ALDH1A1TSHRVCAM1CYP3A4TDP1
SCHEMBL31076479 0.80 GPR35 (0.52) GPR35ALDH1A1TSHRVCAM1CYP3A4
SCHEMBL22232253 0.80 GPR35 (0.52) GPR35ALDH1A1TSHRVCAM1CYP3A4
SCHEMBL16972863 0.80 TDP1 (0.47) GPR35ALDH1A1TSHRVCAM1CYP3A4
SCHEMBL25424796 0.80 PDE7A (0.43) GPR35ALDH1A1TSHRVCAM1CYP3A4
SCHEMBL6525055 0.80 CYP1A2 (0.52) GPR35ALDH1A1TSHRVCAM1CYP3A4
SCHEMBL30976985 0.80 CYP1A2 (0.52) GPR35ALDH1A1TSHRVCAM1CYP3A4
SCHEMBL3355632 0.80 GPR35 (0.53) GPR35ALDH1A1TDP1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108512-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 — — CN disclosed
US-10899687-B2 Process for the preparation of organic halides TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2021-01-26 — — US disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 — — EP disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 — — US disclosed
US-20180282247-A1 PROCESS FOR THE PREPARATION OF ORGANIC HALIDES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2018-10-04 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 — — WO disclosed
US-8859548-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2014-10-14 — — US disclosed
US-8563553-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2013-10-22 — — US disclosed
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-09-06 — — US disclosed
US-8242260-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2012-08-14 — — US disclosed
EP-2470528-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2012-07-04 — — EP disclosed
WO-2011023773-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-03 — — WO disclosed
US-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-03 — — US disclosed
EP-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 — — EP disclosed
US-6316450-B1 PIPERAZINE COMPOUNDS FOR TREATING DEPRESSION AND ANXIETY SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-13 — — US disclosed
EP-0994862-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2000-04-26 — — EP disclosed
WO-1999002502-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 1999-01-21 — — 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-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF GPR35 2909/4885ALDH1A1 3869/4885TSHR 1294/4885
US-10899687-B2 Process for the preparation of organic halides HDHD5, CBR3, RCC2 GPR35 3709/4885ALDH1A1 815/4885TSHR 1084/4885
US-20180282247-A1 PROCESS FOR THE PREPARATION OF ORGANIC HALIDES HDHD5, CBR3, RCC2 GPR35 3709/4885ALDH1A1 815/4885TSHR 1084/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 GPR35 1467/4885ALDH1A1 1533/4885TSHR 4022/4885
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF GPR35 2909/4885ALDH1A1 3869/4885TSHR 1294/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 GPR35 1467/4885ALDH1A1 1533/4885TSHR 4022/4885

“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.