Sugi Predict

Sugi Predict / Compounds / SCHEMBL1798281

SCHEMBL1798281

SCHEMBL1798281

N#Cc1ccc(Cl)c(C=O)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 4/20 0.53
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ RAD51 Q06609 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ AR P10275 2/20 0.36
▸ MERTK Q12866 2/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ ERN1 O75460 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 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
SCHEMBL2460782 0.84 TDP1 (0.55) VCAM1CA1CA2TDP1RAD51
SCHEMBL16955487 0.80 VCAM1 (0.49) VCAM1CA1CA2RAD51ALDH1A1
SCHEMBL16959783 0.80 VCAM1 (0.49) VCAM1CA1CA2RAD51AR
SCHEMBL7195384 0.78 RAD51 (0.40) VCAM1CA1CA2RAD51ALDH1A1
SCHEMBL20670682 0.77 VCAM1 (0.35) VCAM1CA1CA2TDP1RAD51
SCHEMBL14871813 0.77 SLC6A4 (0.46) VCAM1TDP1ARSLC22A12TRPV4
SCHEMBL5837334 0.77 HTR2A (0.57) ARMERTKSLC22A12
SCHEMBL12132595 0.76 ALDH1A1 (0.43) VCAM1CA1CA2RAD51ALDH1A1
SCHEMBL9141551 0.76 RAD51 (0.39) VCAM1CA1CA2RAD51ALDH1A1
SCHEMBL29956520 0.76 RAD51 (0.39) CA1CA2RAD51ERN1TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024124287-A1 COMPOUNDS FOR TREATING VIRAL INFECTION THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2024-06-20 — — WO disclosed
US-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2023-06-01 — — US disclosed
US-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2023-06-01 — — US disclosed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 — — CN disclosed
EP-4137481-A1 ARYL OR HETEROARYL DERIVATIVE Teijin Pharma Limited (JP) 2023-02-22 — — EP disclosed
EP-4137481-A1 ARYL OR HETEROARYL DERIVATIVE Teijin Pharma Limited (JP) 2023-02-22 — — EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 — — US disclosed
CN-110511213-B Immunomodulator 成都先导药物开发股份有限公司 2021-10-19 — — CN disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 — — EP disclosed
WO-2017031325-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2017-02-23 — — WO disclosed
WO-2017031325-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2017-02-23 — — WO disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 — — US disclosed
EP-2925743-B1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-02-03 — — EP disclosed
EP-2925743-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2015-10-07 — — EP disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 — — WO disclosed
US-7951827-B2 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-31 — — US disclosed
CN-1869027-A Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles UNIV NORTH CAROLINA (US) 2006-11-29 — — CN disclosed
US-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles TIDWELL RICHARD R 2006-11-23 — — US disclosed
EP-1719767-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles The University of North Carolina at Chapel Hill (US) 2006-11-08 — — 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 (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-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE ARRB1, NR3C2, TRPC6 VCAM1 4028/4885CA1 4852/4885CA2 2861/4885
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK VCAM1 1032/4885CA1 4400/4885CA2 1544/4885
US-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles PFAS, DHPS, DDO VCAM1 3778/4885CA1 2244/4885CA2 1930/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B VCAM1 361/4885CA1 2024/4885CA2 839/4885

“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.