Sugi Predict

Sugi Predict / Compounds / SCHEMBL455085

SCHEMBL455085

SCHEMBL455085

C1CCC(NCCNC2CCCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CXCR4 P61073 6/20 0.48
▸ CXCL12 P48061 1/20 0.48
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ DPP7 Q9UHL4 5/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ PABPC1 P11940 1/20 0.43
▸ DPP4 P27487 3/20 0.41
▸ FAP Q12884 3/20 0.41

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
SCHEMBL1779849 1.00 RAD52 (0.56) RAD52KDM4EALDH1A1HSD17B10CXCR4
SCHEMBL3298507 0.97 RAD52 (0.52) RAD52KDM4EALDH1A1HSD17B10CXCR4
SCHEMBL4741840 0.91 RAD52 (0.50) RAD52KDM4EALDH1A1HSD17B10CXCR4
SCHEMBL11522649 0.91 RAD52 (0.50) RAD52KDM4EALDH1A1HSD17B10CXCR4
SCHEMBL17710342 0.91 RAD52 (0.50) RAD52KDM4EALDH1A1HSD17B10CXCR4
Formaldehyde SCHEMBL14119131 0.89 RAD52 (0.53) RAD52KDM4EALDH1A1HSD17B10CXCR4
SCHEMBL11519285 0.88 RAD52 (0.47) RAD52KDM4EALDH1A1HSD17B10CXCR4
SCHEMBL17733777 0.88 CXCR4 (0.61) RAD52KDM4EALDH1A1HSD17B10CXCR4
SCHEMBL9417435 0.88 CXCR4 (0.61) RAD52KDM4EALDH1A1HSD17B10CXCR4
SCHEMBL11522705 0.88 RAD52 (0.47) RAD52KDM4EALDH1A1HSD17B10CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116917269-B Process for producing isocyanate compound Hanwha Solutions Co.,Ltd. (KR) 2026-05-26 — — CN claimed
EP-4628491-A1 SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF NEUROKININ-3 RECEPTOR ANTAGONISTS Química Sintética, S.A. (ES) 2025-10-08 — — EP claimed
CN-115043868-B Five-membered cyclic aminosilane external electron donor, preparation method and application thereof 中国科学院化学研究所 2024-10-29 — — CN claimed
CN-118412471-B Composite material for preparing positive electrode material, and preparation method and application thereof 上海交通大学 2024-09-20 — — CN claimed
CN-118412471-A Composite material for preparing positive electrode material, and preparation method and application thereof 上海交通大学 2024-07-30 — — CN claimed
CN-116917269-A Process for producing isocyanate compound 韩华思路信(株) 2023-10-20 — — CN claimed
CN-113620906-B Method for preparing ethylenediamine and ethanolamine derivatives by photocatalytic biomass polyalcohol 中国科学院大连化学物理研究所 2023-05-19 — — CN claimed
US-11167249-B2 Separation membrane, separation membrane element, water purifier, and method for producing separation membrane TORAY INDUSTRIES, INC. (JP) 2021-11-09 — — US claimed
WO-2011089559-A1 A NOVEL POLYMORPHIC FORM OF ATORVASTATIN SALTS ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2011-07-28 — — WO claimed
US-7741478-B2 Salts in the preparation of cephalosporin antibiotics ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-06-22 — — US claimed
US-20090215922-A1 Dental root canal filling cones KLEE JOACHIM E 2009-08-27 — — US claimed
US-20080306256-A1 Salts in the Preparation of Cephalosporin Antibiodies ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2008-12-11 — — US claimed
EP-1911433-A1 Dental obturator point Dentsply DeTrey GmbH (DE) 2008-04-16 — — EP claimed
EP-1765833-A2 NEWS SALTS IN THE PREPARATION OF CEPHALOSPORIN ANTIBIOTICS Orchid Chemicals and Pharmaceuticals Limited (IN) 2007-03-28 — — EP claimed
WO-2006006040-A2 NEWS DIAMINE SALTS OF CEPHALOSPORIN ANTIBIOTICS AND THEIR PREPARATION ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2006-01-19 — — WO claimed
US-20050267232-A1 Dental root canal filling cones KLEE JOACHIM E 2005-12-01 — — US claimed
EP-1416901-B1 DENTAL ROOT CANAL FILLING CONES DENTSPLY INT INC (US) 2005-10-26 — — EP claimed
US-20040102545-A1 Aqueous based vinyl acetate based emulsions with epoxy/amine for improved wet adhesion in paints AIR PRODUCTS POLYMERS, L.P. 2004-05-27 — — US claimed
US-20030045604-A1 Dental root canal filling cones KLEE JOACHIM E (DE) 2003-03-06 — — US claimed
US-5225597-A Selective, high purity preparation of N-monoalkyl alkylenediamines UOP (US) 1993-07-06 — — US claimed

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-20090215922-A1 Dental root canal filling cones DRD1, DRD4, DRD2 RAD52 133/4885KDM4E 2266/4885ALDH1A1 84/4885
US-20050267232-A1 Dental root canal filling cones DRD1, DRD4, DRD2 RAD52 133/4885KDM4E 2266/4885ALDH1A1 84/4885
US-20080306256-A1 Salts in the Preparation of Cephalosporin Antibiodies ABCB11, SLC10A1, NISCH RAD52 3765/4885KDM4E 3252/4885ALDH1A1 2085/4885
US-20030045604-A1 Dental root canal filling cones DRD1, DRD4, DRD2 RAD52 133/4885KDM4E 2266/4885ALDH1A1 84/4885

“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.