SCHEMBL9644263

SCHEMBL9644263

O=C(Oc1cccccc1=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
MAPT P10636 4/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
SLC6A3 Q01959 1/20 0.58
HSD17B10 Q99714 2/20 0.56
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
MEN1 O00255 2/20 0.56
JAK2 O60674 1/20 0.56
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TOP1 P11387 1/20 0.56
PARP1 P09874 1/20 0.53
LMNA P02545 2/20 0.52
F2 P00734 1/20 0.52
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL21999716 0.87 KMT2A (0.77) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL19509566 0.87 KMT2A (0.77) KMT2AMAPTSMN1; SMN2SLC6A3HSD17B10
SCHEMBL725404 0.87 KMT2A (0.76) KMT2AMAPTSMN1; SMN2SLC6A3HSD17B10
Bromide SCHEMBL29588519 0.85 KMT2A (0.73) KMT2AMAPTSMN1; SMN2SLC6A3HSD17B10
Hydrochloric Acid SCHEMBL16050041 0.85 KMT2A (0.73) KMT2AMAPTSMN1; SMN2SLC6A3HSD17B10
SCHEMBL21999712 0.83 KMT2A (0.70) KMT2AMAPTSMN1; SMN2HSD17B10ESR1
SCHEMBL19509565 0.83 KMT2A (0.70) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL19475609 0.82 KMT2A (0.68) KMT2AMAPTSMN1; SMN2MEN1GAA
Acetic Acid SCHEMBL29588064 0.81 KMT2A (0.68) KMT2AMAPTSMN1; SMN2SLC6A3HSD17B10
SCHEMBL31517375 0.81 KMT2A (0.68) KMT2AMAPTSMN1; SMN2SLC6A3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0267378-B1 TROPOLONE DERIVATIVES AS AN ANTI-MYCOPLASMA AGENT SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-11-04 EP claimed
EP-0267378-A2 Tropolone derivatives as an anti-mycoplasma agent SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1988-05-18 EP claimed
US-10980754-B2 Anti-fungal compounds SAINT LOUIS UNIVERSITY (US) 2021-04-20 US disclosed
WO-2021041776-A1 LIPOSOMAL TROPONOID COMPOUND FORMULATIONS UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2021-03-04 WO disclosed
US-20200147086-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS SAINT LOUIS UNIVERSITY (US) 2020-05-14 US disclosed
US-10329542-B2 HBV RNAse H purification and enzyme inhibitors SAINT LOUIS UNIVERSITY (US) 2019-06-25 US disclosed
US-20190099385-A1 ANTI-FUNGAL COMPOUNDS SAINT LOUIS UNIVERSITY (US) 2019-04-04 US disclosed
WO-2017184752-A1 ANTI-FUNGAL COMPOUNDS SAINT LOUIS UNIVERSITY (US) 2017-10-26 WO disclosed
US-20160296521-A1 INHIBITORS OF HSV NUCLEOTIDYL TRANSFERASES AND USES THEREFOR SAINT LOUIS UNIVERSITY (US) 2016-10-13 US disclosed
EP-0267378-B1 TROPOLONE DERIVATIVES AS AN ANTI-MYCOPLASMA AGENT SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-11-04 EP disclosed
US-4950686-A Anti-mycoplasma agent SHIONOGI & CO., LTD. (JP) 1990-08-21 US disclosed
EP-0267378-A2 Tropolone derivatives as an anti-mycoplasma agent SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1988-05-18 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 (5 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-20190099385-A1 ANTI-FUNGAL COMPOUNDS ERG28, NANS, DPM1 KMT2A 3839/4885MAPT 3024/4885SMN1; SMN2 3958/4885
US-20160296521-A1 INHIBITORS OF HSV NUCLEOTIDYL TRANSFERASES AND USES THEREFOR TYMP, TYMS, NAMPT KMT2A 1441/4885MAPT 2880/4885SMN1; SMN2 4818/4885
US-20200147086-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS DNTT, APRT, RNGTT KMT2A 804/4885MAPT 3444/4885SMN1; SMN2 3844/4885
US-10980754-B2 Anti-fungal compounds ERG28, NANS, DPM1 KMT2A 3839/4885MAPT 3024/4885SMN1; SMN2 3958/4885
US-10329542-B2 HBV RNAse H purification and enzyme inhibitors RNASEH1, RNASE1, RNASEL KMT2A 2785/4885MAPT 4504/4885SMN1; SMN2 4207/4885

“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.