Sugi Predict

Sugi Predict / Compounds / SCHEMBL4665022

SCHEMBL4665022

SCHEMBL4665022

O=C(CCl)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.62
▸ HTT P42858 1/20 0.62
▸ NCOA1 Q15788 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ NCOA3 Q9Y6Q9 1/20 0.62
▸ TSHR P16473 1/20 0.61
▸ LMNA P02545 2/20 0.60
▸ KMT2A Q03164 3/20 0.57
▸ HPGD P15428 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ SLC6A9 P48067 4/20 0.53
▸ SLC6A5 Q9Y345 3/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MDM4 O15151 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MDM2 Q00987 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HPGDS O60760 1/20 0.49
▸ MTOR P42345 1/20 0.48

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
SCHEMBL17137947 0.84 ALDH1A1 (0.62) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL17137945 0.84 ALDH1A1 (0.62) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL5456486 0.82 S1PR2 (0.57) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9754281 0.82 TSHR (0.62) ALDH1A1TSHRLMNAKMT2AHPGD
SCHEMBL5834057 0.82 TSHR (0.62) ALDH1A1TSHRLMNAKMT2AHPGD
SCHEMBL13949291 0.81 SLC6A9 (0.57) ALDH1A1TSHRKMT2AHPGDL3MBTL1
SCHEMBL2938094 0.81 ALDH1A1 (0.66) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL2938096 0.81 ALDH1A1 (0.66) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL28300956 0.81 ALDH1A1 (0.58) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL3838394 0.81 ALDH1A1 (0.66) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641770-A4 SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES UNIV HONG KONG (CN) 2008-12-31 — — EP claimed
EP-1641770-A1 SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES The University of Hong Kong (CN) 2006-04-05 — — EP claimed
US-20050033106-A1 Synthesis of tris N-alkylated 1,4,7,10-tetraazacyclododecanes UNIVERSITY OF HONG KONG (CN) 2005-02-10 — — US claimed
WO-2005003105-A1 SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES THE UNIVERSITY OF HONG KONG (CN) 2005-01-13 — — WO claimed
CN-113943199-B Method for synthesizing amide compound by using nitrile and diaryl methane as raw materials 浙江工业大学 2023-09-22 — — CN disclosed
CN-113943199-A Method for synthesizing amide compound by taking nitrile and diarylmethane as raw materials 浙江工业大学 2022-01-18 — — CN disclosed
US-20210134398-A1 Combinatorial Chemistry Computational System and Enhanced Selection Method NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-05-06 — — US disclosed
EP-1641770-A4 SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES UNIV HONG KONG (CN) 2008-12-31 — — EP disclosed
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 — — US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 — — EP disclosed
EP-1641770-A1 SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES The University of Hong Kong (CN) 2006-04-05 — — EP disclosed
US-20050033106-A1 Synthesis of tris N-alkylated 1,4,7,10-tetraazacyclododecanes UNIVERSITY OF HONG KONG (CN) 2005-02-10 — — US disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 — — WO disclosed
WO-2005003105-A1 SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES THE UNIVERSITY OF HONG KONG (CN) 2005-01-13 — — WO disclosed
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 — — US disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 — — EP disclosed
US-5017586-A 5-dialkylaminomethyl-2-furanomethanol derivatives having anti-hypertensive properties GEROT-PHARMAZEUTIKA GESELLSCHAFT M.B.H. (AT) 1991-05-21 — — US disclosed
EP-0342182-A1 Derivatives of 5-aminomethyl-2-furan methanol, their preparation and use Gerot-Pharmazeutika Gesellschaft m.b.H. (AT) 1989-11-15 — — EP 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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A ALDH1A1 489/4885HTT 1961/4885NCOA1 956/4885

“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.