SCHEMBL6742801

SCHEMBL6742801

COc1c(C#N)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
VCAM1 P19320 1/20 0.42
PIN1 Q13526 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.41
GRM6 O15303 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
KMT2A Q03164 2/20 0.40
GPR35 Q9HC97 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
F2 P00734 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
Tert-Butanol SCHEMBL29273186 0.93 ALDH1A1 (0.41) TDP1ALDH1A1L3MBTL1VCAM1PIN1
SCHEMBL15689474 0.83 ALDH1A1 (0.47) TDP1ALDH1A1L3MBTL1SMN1; SMN2TSHR
SCHEMBL6742796 0.83 VCAM1 (0.42) TDP1ALDH1A1VCAM1PIN1SMN1; SMN2
SCHEMBL16955398 0.83 ALDH1A1 (0.47) TDP1ALDH1A1L3MBTL1SMN1; SMN2TSHR
SCHEMBL9829866 0.83 LMNA (0.50) TDP1ALDH1A1VCAM1PIN1SMN1; SMN2
SCHEMBL30204899 0.83 LMNA (0.50) TDP1ALDH1A1VCAM1PIN1SMN1; SMN2
SCHEMBL358770 0.82 TDP1 (0.61) TDP1ALDH1A1L3MBTL1SMN1; SMN2TSHR
Water SCHEMBL28314114 0.80 MEN1 (0.43) TDP1ALDH1A1VCAM1PIN1SMN1; SMN2
SCHEMBL15689105 0.78 TDP1 (0.42) TDP1ALDH1A1L3MBTL1SMN1; SMN2TSHR
SCHEMBL6736896 0.78 POLB (0.47) ALDH1A1SMN1; SMN2TSHRMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250243193-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES SYNGENE INTERNATIONAL LIMITED (IN) 2025-07-31 US disclosed
WO-2025140615-A1 METHOD FOR PREPARING DEUCRAVACITINIB AND INTERMEDIATES THEREOF 上海鼎雅药物化学科技有限公司 2025-07-03 WO disclosed
US-20240317718-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-09-26 US disclosed
CN-118184591-A Preparation method of 2-methoxy-3- (1-methyl-1H-1, 2, 4-triazole-3-yl) aniline 上海工程技术大学 2024-06-14 CN disclosed
US-20240101548-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD (CN) 2024-03-28 US disclosed
CN-117321043-A Substituted heterocyclic compounds 百时美施贵宝公司 2023-12-29 CN disclosed
EP-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 EP disclosed
CN-116283954-A Hydroxamate compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-23 CN disclosed
CN-114901656-B Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-04-07 CN disclosed
US-20220356180-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2022-11-10 US disclosed
WO-2014074661-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHα RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 WO disclosed
US-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
EP-1222183-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-07-17 EP disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2001029022-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-04-26 WO disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US 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 (4 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-20240101548-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TYK2, WEE2, WEE1 TDP1 1205/4885ALDH1A1 3779/4885L3MBTL1 4252/4885
US-20220356180-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 TDP1 1976/4885ALDH1A1 4355/4885L3MBTL1 3564/4885
US-20250243193-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 TDP1 2019/4885ALDH1A1 4349/4885L3MBTL1 3517/4885
US-20240317718-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, JAK1 TDP1 494/4885ALDH1A1 3595/4885L3MBTL1 4198/4885

“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.