Sugi Predict

Sugi Predict / Compounds / SCHEMBL6305

SCHEMBL6305

SCHEMBL6305

N#Cc1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 5/20 0.50
▸ TSHR P16473 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ PIN1 Q13526 1/20 0.39
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GRIA1 P42261 1/20 0.37
▸ CACNG8 Q8WXS5 1/20 0.37
▸ TLR8 Q9NR97 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
SCHEMBL3237039 0.86 ALDH1A1 (0.46) VCAM1TSHRALDH1A1TDP1GRIN2D
SCHEMBL17760823 0.85 TSHR (0.42) VCAM1TSHRALDH1A1TDP1GRIN2D
SCHEMBL13982688 0.83 TSHR (0.41) VCAM1TSHRALDH1A1TDP1GRIN2D
SCHEMBL6172008 0.83 ALDH1A1 (0.41) VCAM1TSHRALDH1A1TDP1GRIN2D
SCHEMBL16954397 0.81 ALDH1A1 (0.39) VCAM1TSHRALDH1A1TDP1GRIN2D
SCHEMBL15344267 0.80 VCAM1 (0.40) VCAM1TSHRALDH1A1TDP1GRIN2D
SCHEMBL670917 0.80 TSHR (0.58) TSHRALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL622040 0.79 GPR35 (0.53) VCAM1TSHRALDH1A1TDP1PIN1
SCHEMBL21808022 0.78 VCAM1 (0.54) VCAM1TSHRALDH1A1TDP1PIN1
SCHEMBL1344373 0.78 TDP1 (0.64) VCAM1TSHRALDH1A1TDP1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5339364-A — — None — — JP disclosed
US-11548884-B2 Cyclic amidine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-01-10 — — US disclosed
EP-3847170-B1 NOVEL CYCLIC AMIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2022-06-22 — — EP disclosed
US-20210340134-A1 CYCLIC AMIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-11-04 — — US disclosed
EP-3847170-A1 NOVEL CYCLIC AMIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 — — EP disclosed
CN-112654618-A Novel cyclic amidine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-04-13 — — CN disclosed
CN-106957303-B Quinazoline derivant of selective Aurora A kinase inhibiting activity and preparation method thereof and application 中山大学 2019-06-04 — — CN disclosed
CN-108558778-A Dihydroquinazoline ketone compounds and preparation method thereof 三峡大学 2018-09-21 — — CN disclosed
CN-108290860-A Imino group tetrahydropyrimidine ketone derivatives as PLASMEPSIN V inhibitor UCB生物制药私人有限公司 2018-07-17 — — CN disclosed
CN-105503837-B Substituted quinazoline analog derivative and its application with Aurora kinase inhibitory activity 中山大学 2018-06-29 — — CN disclosed
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 — — EP disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 — — US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 — — US disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 — — WO disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 — — WO disclosed
EP-0315959-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-03-02 — — EP disclosed
JP-H05339364-A PRODUCTION OF AROMATIC POLYETHERNITRILE IDEMITSU KOSAN CO LTD 1993-12-21 — — JP disclosed
US-5026704-A Neuroleptic agent, quisqualate-antagonist NOVO NORDISK A/S (DK) 1991-06-25 — — US disclosed
US-4948794-A NEUROLEPTIC AGENTS A/S FERROSAN (DK) 1990-08-14 — — US disclosed
US-3950525-A BRONCHODILATION, 4-HYDROXY-6-ARYL PYRIMIDINES PFIZER INC. (US) 1976-04-13 — — 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-11548884-B2 Cyclic amidine compounds for the treatment of autoimmune disease TLR9, TLR7, TLR8 VCAM1 2961/4885TSHR 152/4885ALDH1A1 4609/4885
US-20210340134-A1 CYCLIC AMIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE TLR9, TLR7, TLR8 VCAM1 2961/4885TSHR 152/4885ALDH1A1 4609/4885
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 VCAM1 2233/4885TSHR 4596/4885ALDH1A1 588/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 VCAM1 809/4885TSHR 351/4885ALDH1A1 1286/4885

“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.