Sugi Predict

Sugi Predict / Compounds / SCHEMBL3363179

SCHEMBL3363179

SCHEMBL3363179

CC(=O)c1cccc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ TSHR P16473 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ACMSD Q8TDX5 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CTSA P10619 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL29793731 1.00 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4KDM4EALOX15
SCHEMBL455687 0.84 KDM4E (0.59) ALDH1A1TSHRKDM4EALOX15ACMSD
SCHEMBL6641842 0.81 KDM4E (0.56) ALDH1A1TSHRKDM4EALOX15ACMSD
SCHEMBL286921 0.80 KDM4E (0.70) ALDH1A1TSHRCYP3A4KDM4EALOX15
SCHEMBL30193007 0.80 KDM4E (0.70) ALDH1A1TSHRCYP3A4KDM4EALOX15
SCHEMBL1766284 0.80 TSHR (0.45) ALDH1A1TSHRCYP3A4KDM4EALOX15
Hydrochloric Acid SCHEMBL28930333 0.79 ALDH1A1 (0.58) ALDH1A1TSHRKDM4EALOX15ACMSD
Hydrochloric Acid SCHEMBL1766285 0.78 KDM4E (0.67) ALDH1A1TSHRCYP3A4KDM4EALOX15
SCHEMBL2828415 0.78 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4KDM4EALOX15
SCHEMBL9368741 0.78 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 — — EP disclosed
CN-118176185-A 2- (Aryl-2-yl) morpholine and deuterated derivative thereof, preparation method and application 上海翰森生物医药科技有限公司 2024-06-11 — — CN disclosed
WO-2023078392-A1 2-(ARYL-2-YL) MORPHOLINE AND DEUTERATED DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-05-11 — — WO disclosed
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC 2023-01-05 — — US disclosed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 — — US disclosed
WO-2021097139-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC (US) 2021-05-20 — — WO disclosed
CN-107460497-B The electrochemical catalysis synthetic method for the electron deficient nitrogen-containing heterocycle compound that acyl group replaces 北京工业大学 2019-02-26 — — CN disclosed
EP-3061756-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-11-14 — — EP disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
WO-2018080065-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2018-05-03 — — WO disclosed
US-6528456-B2 Selectivity, desirable rate of degradation in soil BASF AKTIENGESELLSCHAFT (DE) 2003-03-04 — — US disclosed
US-20020137633-A1 Herbicidal 2-pyrazolyl-6-aryloxypyri(mi)dines BASF AKTIENEGESELLSCHAFT (DE) 2002-09-26 — — US disclosed
EP-1108720-A9 Herbicidal 2-Pyrazolyl-6-Aryloxy-Pyri(mi)dines BASF AKTIENGESELLSCHAFT (DE) 2001-10-31 — — EP disclosed
EP-1108720-A1 Herbicidal 2-Pyrazolyl-6-Aryloxy-Pyri(mi)dines BASF AKTIENGESELLSCHAFT (DE) 2001-06-20 — — EP disclosed
CN-1063430-C Ethanolamine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2001-03-21 — — CN disclosed
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 — — EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 — — US disclosed
CN-1084846-A Ethanolamine derivant FUJISAWA PHARMACEUTICAL CO (JP) 1994-04-06 — — CN disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 — — EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 — — WO 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-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD ALDH1A1 4859/4885TSHR 4613/4885CYP3A4 4465/4885
US-20020137633-A1 Herbicidal 2-pyrazolyl-6-aryloxypyri(mi)dines DDT, CYP4X1, PRDX6 ALDH1A1 74/4885TSHR 1459/4885CYP3A4 241/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1480/4885TSHR 1906/4885CYP3A4 1373/4885
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL ADH1A, ADH1C, ADH5 ALDH1A1 149/4885TSHR 445/4885CYP3A4 28/4885

“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.