SCHEMBL3365582

SCHEMBL3365582

CNC(=O)c1cccc(O)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.59
ALOX5 P09917 2/20 0.59
PLK1 P53350 2/20 0.53
GAA P10253 2/20 0.52
CXCR2 P25025 1/20 0.49
KDM4E B2RXH2 1/20 0.45
MPO P05164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TAS1R2 Q8TE23 2/20 0.44
LMNA P02545 2/20 0.44
ADAMTS4 O75173 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EGFR P00533 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
FYN P06241 1/20 0.44
MMP2 P08253 1/20 0.44

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
SCHEMBL19962170 0.89 PLK1 (0.59) TERTALOX5PLK1GAACXCR2
SCHEMBL26296693 0.85 SELL (0.56) TERTALOX5PLK1GAAKDM4E
SCHEMBL1799299 0.83 KDM4E (0.65) PLK1GAAKDM4EMPOSMN1; SMN2
SCHEMBL4229962 0.83 TERT (0.63) TERTALOX5GAAKDM4EMPO
SCHEMBL14164188 0.82 PLK1 (0.52) TERTALOX5PLK1GAACXCR2
SCHEMBL14310585 0.82 ALDH1A1 (0.62) PLK1GAACXCR2KDM4ESMN1; SMN2
SCHEMBL723254 0.81 TERT (0.61) TERTALOX5GAAKDM4EMPO
SCHEMBL32018464 0.81 TERT (0.61) TERTALOX5GAAKDM4EMPO
SCHEMBL1436240 0.81 GAA (0.69) TERTALOX5GAAKDM4EMPO
SCHEMBL24445885 0.80 GAA (0.58) TERTALOX5PLK1GAACXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941452-A1 SMALL MOLECULES TARGETING THE INTRINSICALLY DISORDERED STRUCTURAL ENSEMBLE OF ALPHA-SYNUCLEIN PROTECT AGAINST DIVERSE ALPHA-SYNUCLEIN MEDIATED DYSFUNCTIONS The Regents of the University of California (US) 2022-01-26 EP claimed
WO-2020190970-A1 SMALL MOLECULES TARGETING THE INTRINSICALLY DISORDERED STRUCTURAL ENSEMBLE OF ALPHA-SYNUCLEIN PROTECT AGAINST DIVERSE ALPHA-SYNUCLEIN MEDIATED DYSFUNCTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-09-24 WO claimed
US-8183279-B2 1,3-dihydroisoindole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-22 US claimed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 US claimed
WO-2021007441-A1 CONTAMINANT REMEDIATION WITH FUNCTIONALIZED (METH)ACRYLIC POLYMER OR COPOLYMER MACROPARTICULATES AND SYSTEMS RELATED THERETO COUNTERTRACE LLC (US) 2021-01-14 WO disclosed
CN-108884021-A Novel compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof and medical use thereof 启明大学校产学协力团 2018-11-23 CN disclosed
US-10039836-B2 Polyamine-dihydroxybenzoic acid conjugate hydrogels as iron chelators THE UNIVERSITY OF KANSAS (US) 2018-08-07 US disclosed
US-20170028072-A1 POLYAMINE-DIHYDROXYBENZOIC ACID CONJUGATE HYDROGELS AS IRON CHELATORS THE UNIVERSITY OF KANSAS 2017-02-02 US disclosed
CN-101790513-A 1,3-dihydroisoindole derivatives MERCK PATENT GMBH 2010-07-28 CN disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
JP-2008214251-A LYSINE DERIVATIVE AND ITS BASAL MEMBRANE INFILTRATION INHIBITOR TOYAMA PREFECTURE 2008-09-18 JP disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008043911-A2 DENDRITIC CHELATED COMPOUNDS, METHODS FOR MAKING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-04-17 WO disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
US-4855140-A PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1989-08-08 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 (3 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A TERT 1922/4885ALOX5 3876/4885PLK1 3354/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 TERT 244/4885ALOX5 2969/4885PLK1 3565/4885
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES HSP90AB1, HSP90AA1, HSP90AB2P TERT 3632/4885ALOX5 4747/4885PLK1 2266/4885

“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.