Sugi Predict

Sugi Predict / Compounds / SCHEMBL2019522

SCHEMBL2019522

SCHEMBL2019522

CC(=O)Nc1cc(C)c([N+](=O)[O-])cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.55
▸ GAA P10253 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ PTK2B Q14289 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ POLB P06746 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GALR2 O43603 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL29643004 1.00 CYP1A2 (0.55) CYP1A2GAAL3MBTL1HTTMAPT
SCHEMBL9112617 0.89 TSHR (0.45) CYP1A2GAAMAPTCYP2C9CYP2C19
SCHEMBL9112611 0.89 TSHR (0.45) CYP1A2GAAMAPTCYP2C9CYP2C19
SCHEMBL8323319 0.84 NPC1 (0.44) CYP1A2GAAHTTMAPTCYP2C9
SCHEMBL14060629 0.82 MDM2 (0.51) SMN1; SMN2
SCHEMBL29197557 0.82 ALDH1A1 (0.41) CYP1A2GAAMAPTCYP2C9CYP2C19
SCHEMBL9909956 0.80 GSK3B (0.42) CYP1A2MAPTCYP2C9CYP2C19MEN1
SCHEMBL29783679 0.80 GSK3B (0.42) CYP1A2MAPTCYP2C9CYP2C19MEN1
SCHEMBL9187525 0.79 GAA (0.42) CYP1A2GAAHTTMAPTCYP2C9
SCHEMBL29151238 0.79 MAPK8 (0.46) GAAL3MBTL1MAPTMEN1KMT2A

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
US-20260125400-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2026-05-07 — — US disclosed
WO-2024220937-A2 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
CN-117043162-A TYK2 selective inhibitors and uses thereof 迈巴制药(南京)有限公司 2023-11-10 — — CN disclosed
CN-111285872-B Indole-2-ketone derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2022-05-17 — — CN disclosed
CN-111285872-A Indole-2-ketone derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2020-06-16 — — CN disclosed
US-9364466-B2 Heterocyclic compounds as protein kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-06-14 — — US disclosed
EP-2714688-B1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO CO LTD (JP) 2016-02-24 — — EP disclosed
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 — — US disclosed
EP-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 — — EP disclosed
US-20150157613-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-11 — — US disclosed
CN-102378574-A Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA INC 2012-03-14 — — CN disclosed
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-30 — — US disclosed
US-7056917-B2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-06 — — US disclosed
US-20060106034-A1 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-18 — — US disclosed
US-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 — — US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 — — EP disclosed
US-20030092720-A1 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD (JP) 2003-05-15 — — US disclosed
US-5807857-A Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists MERCK SHARP & DOHME LTD. (GB) 1998-09-15 — — US disclosed
EP-0759918-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-03-05 — — EP disclosed
WO-1995032196-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-30 — — 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-20260125400-A1 TYK2 DEGRADERS AND USES THEREOF TYK2, CSNK2A1, CSNK2A2 CYP1A2 632/4885GAA 2767/4885L3MBTL1 2459/4885
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLP1R, GIPR, GPR119 CYP1A2 393/4885GAA 1571/4885L3MBTL1 4856/4885
US-20150157613-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS MAP3K1, JAK2, AKT1 CYP1A2 1129/4885GAA 2254/4885L3MBTL1 2708/4885
US-20030092720-A1 Drug efflux pump inhibitor ABCB11, ABCB1, ABCC1 CYP1A2 122/4885GAA 490/4885L3MBTL1 2027/4885
US-20060106034-A1 Drug efflux pump inhibitor ABCB11, ABCB1, ABCC5 CYP1A2 148/4885GAA 1071/4885L3MBTL1 1604/4885
US-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 CYP1A2 225/4885GAA 1629/4885L3MBTL1 971/4885

“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.