Sugi Predict

Sugi Predict / Compounds / SCHEMBL1432084

SCHEMBL1432084

SCHEMBL1432084

Cc1ccc[n+]([O-])c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ HDAC8 Q9BY41 4/20 0.39
▸ CYP1A2 P05177 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GMNN O75496 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ ABCC1 P33527 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP2C19 P33261 1/20 0.32
▸ ABCC9 O60706 1/20 0.31
▸ ABCC8 Q09428 1/20 0.31

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
SCHEMBL31559509 1.00 TSHR (0.40) TSHRHDAC8CYP1A2LMNAGMNN
SCHEMBL7844027 0.75 DYRK1A (0.34) TSHRHDAC8CYP1A2LMNAGMNN
SCHEMBL28172920 0.75 TSHR (0.40) TSHRHDAC8CYP1A2CYP2C19ACHE
SCHEMBL1009055 0.75 MAPT (0.38) TSHRHDAC8CYP1A2LMNAGMNN
SCHEMBL27585332 0.75 TSHR (0.45) TSHRHDAC8LMNAALDH1A1MAPT
SCHEMBL18387710 0.75 CA12 (0.38) LMNAALDH1A1MAPTSMN1; SMN2ACHE
SCHEMBL31121849 0.75 CA12 (0.38) LMNAALDH1A1MAPTSMN1; SMN2ACHE
Water SCHEMBL27730446 0.73 TSHR (0.36) TSHRCYP1A2LMNAALDH1A1MAPT
SCHEMBL23169560 0.72 TSHR (0.38) TSHRHDAC8CYP1A2ALDH1A1CYP2C19
SCHEMBL26650538 0.71 ALDH1A1 (0.40) TSHRCYP1A2LMNAGMNNALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260076968-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2026-03-19 — — US disclosed
EP-4034535-B1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2026-03-04 — — EP disclosed
US-12544374-B2 AZA-quinoline compounds and uses thereof NOVARTIS AG (CH) 2026-02-10 — — US disclosed
CN-114746414-B Aza-quinoline compounds and uses thereof 诺华公司 2024-10-18 — — CN disclosed
US-20220280509-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-09-08 — — US disclosed
EP-4034535-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2022-08-03 — — EP disclosed
CN-114746414-A Aza-quinoline compounds and uses thereof 诺华公司 2022-07-12 — — CN disclosed
WO-2021057853-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2021-04-01 — — WO disclosed
US-10239838-B2 Heteroaryl orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-03-26 — — US disclosed
US-10005721-B2 Dimethylbenzoic acid compounds ELI LILLY AND COMPANY (US) 2018-06-26 — — US disclosed
US-20160251306-A1 DIMETHYLBENZOIC ACID COMPOUNDS ELI LILLY AND COMPANY 2016-09-01 — — US disclosed
WO-2016095205-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 — — WO disclosed
WO-2016100156-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 — — WO disclosed
WO-2015094912-A1 DIMETHYLBENZOIC ACID COMPOUNDS ELI LILLY AND COMPANY (US) 2015-06-25 — — WO disclosed
WO-2015094912-A1 DIMETHYLBENZOIC ACID COMPOUNDS ELI LILLY AND COMPANY (US) 2015-06-25 — — WO disclosed
EP-2299816-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-11-13 — — EP disclosed
US-8344144-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-01 — — US disclosed
US-20110082136-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-04-07 — — US disclosed
EP-2299816-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-03-30 — — EP disclosed
WO-2009155156-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-12-23 — — 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 (7 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-20110082136-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 TSHR 1230/4885HDAC8 1397/4885CYP1A2 3844/4885
US-20260076968-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF EZH2, SUZ12, NR3C1 TSHR 973/4885HDAC8 89/4885CYP1A2 1442/4885
US-12544374-B2 AZA-quinoline compounds and uses thereof EZH2, NR3C1, SUZ12 TSHR 1844/4885HDAC8 91/4885CYP1A2 944/4885
US-10239838-B2 Heteroaryl orexin receptor antagonists HCRTR2, HCRTR1, OXTR TSHR 246/4885HDAC8 835/4885CYP1A2 1352/4885
US-20220280509-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF EZH2, BMI1, EED TSHR 4018/4885HDAC8 52/4885CYP1A2 1390/4885
US-10005721-B2 Dimethylbenzoic acid compounds PTGER4, EDNRB, EPB41 TSHR 524/4885HDAC8 1479/4885CYP1A2 715/4885
US-20160251306-A1 DIMETHYLBENZOIC ACID COMPOUNDS PTGER4, EDNRB, EPB41 TSHR 524/4885HDAC8 1479/4885CYP1A2 715/4885

“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.