Sugi Predict

Sugi Predict / Compounds / SCHEMBL2074399

SCHEMBL2074399

SCHEMBL2074399

O=CNC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.42
▸ KIF11 P52732 1/20 0.40
▸ ADH1B P00325 1/20 0.38
▸ ADH1C P00326 1/20 0.38
▸ ADH1A P07327 1/20 0.38
▸ ADH7 P40394 1/20 0.38
▸ TSHR P16473 3/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL28687787 0.76 KCNN4 (0.44) KCNN4ALDH1A1KIF11ADH1BADH1C
SCHEMBL14518041 0.76 KCNN4 (0.44) KCNN4ALDH1A1KIF11ADH1BADH1C
SCHEMBL9852913 0.76 HDAC3 (0.41) KCNN4ALDH1A1ADH1BADH1CADH1A
SCHEMBL1911380 0.76 HDAC3 (0.41) KCNN4ALDH1A1ADH1BADH1CADH1A
SCHEMBL2549817 0.75 KCNN4 (0.54) KCNN4ALDH1A1KIF11TSHRHDAC3
SCHEMBL11315438 0.75 KCNN4 (0.48) KCNN4ALDH1A1KIF11TSHRCYP1A2
SCHEMBL14290034 0.75 KCNN4 (0.48) KCNN4ALDH1A1KIF11TSHRCYP1A2
Hydrochloric Acid SCHEMBL2313248 0.75 TSHR (0.42) KCNN4ALDH1A1ADH1BADH1CADH1A
SCHEMBL12797905 0.74 ALDH1A1 (0.47) KCNN4ALDH1A1KIF11TSHRCYP1A2
SCHEMBL31086285 0.73 HDAC3 (0.42) KCNN4ALDH1A1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118652217-A Star-structure organic interface modification material, preparation method thereof and application thereof in perovskite solar cell 中节能太阳能科技（镇江）有限公司 2024-09-17 — — CN claimed
CN-114276411-B Solid phase synthesis method of cyclic peptide compound containing trithioether bond 北京大学深圳研究生院 2024-02-09 — — CN claimed
CN-114685608-A Cyclic peptide compound containing trithioether bond or derivative thereof, and synthetic method and application thereof 北京大学深圳研究生院 2022-07-01 — — CN claimed
CN-114276411-A Solid phase synthesis method of cyclic peptide compound containing trithioether bond 北京大学深圳研究生院 2022-04-05 — — CN claimed
EP-0641356-B1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO WELLCOME INC (US) 1998-04-22 — — EP claimed
US-5543406-A TREATING ANDROGEN RESPONSIVE OR MEDIATED DISEASE GLAXO WELLCOME, INC. (US) 1996-08-06 — — US claimed
EP-0641356-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO WELLCOME INC. (US) 1995-03-08 — — EP claimed
WO-1993013124-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO INC. (US) 1993-07-08 — — WO claimed
EP-4658667-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY Merck Sharp & Dohme LLC (US) 2025-12-10 — — EP disclosed
CN-119246718-A Chiral analysis method of semaglutin series intermediates 杭州澳赛诺医药技术有限公司 2025-01-03 — — CN disclosed
CN-118652217-A Star-structure organic interface modification material, preparation method thereof and application thereof in perovskite solar cell 中节能太阳能科技（镇江）有限公司 2024-09-17 — — CN disclosed
US-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC 2024-08-29 — — US disclosed
WO-2024163691-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC (US) 2024-08-08 — — WO disclosed
CN-118355112-A Hydrogel particles as feeder cells and as synthetic antigen presenting cells 弹弓生物科学公司 2024-07-16 — — CN disclosed
US-4267176-A Amino or acylamino-substituted pyrimidinyl cephalosporanic acid derivatives and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 — — US disclosed
US-4243783-A Fluoroaliphaticsulfonyl substituted ethylenes catalysts in polymerization processes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-01-06 — — US disclosed
US-4156696-A Fluoroaliphaticsulfonyl substituted methanes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1979-05-29 — — US disclosed
US-4069233-A Fluoroaliphaticsulfonyl substituted ethylenes substituted by furyl, thenyl, or 1H-pyrrolyl groups MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-01-17 — — US disclosed
US-3984357-A Fluoroaliphaticsulfonyl substituted ethylenes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1976-10-05 — — US disclosed
US-3932526-A Fluoroaliphaticsulfonyl substituted ethylenes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1976-01-13 — — 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 (1 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-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY TNF, TNFRSF1A, CD40 KCNN4 4112/4885ALDH1A1 3774/4885KIF11 3960/4885

“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.