SCHEMBL2494948

SCHEMBL2494948

COc1ccc(C(=O)n2nnc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 11/20 1.00
AMY1A P0DUB6 11/20 1.00
GAA P10253 11/20 1.00
SI P14410 11/20 1.00
MGAM2 Q2M2H8 11/20 1.00
F12 P00748 6/20 1.00
KMT2A Q03164 4/20 0.70
HPGD P15428 2/20 0.70
F2 P00734 1/20 0.70
SLC9A1 P19634 1/20 0.70
ALDH1A1 P00352 3/20 0.68
KDM4E B2RXH2 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
MAPT P10636 1/20 0.68
HTT P42858 1/20 0.68
MEN1 O00255 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC1 Q13547 1/20 0.64

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
SCHEMBL26095836 0.86 MGAM (0.75) MGAMAMY1AGAASIMGAM2
SCHEMBL30387510 0.86 MGAM (0.75) MGAMAMY1AGAASIMGAM2
SCHEMBL16706437 0.84 MGAM (0.77) MGAMAMY1AGAASIMGAM2
SCHEMBL29433322 0.83 MGAM (1.00) MGAMAMY1AGAASIMGAM2
SCHEMBL2493561 0.83 MGAM (1.00) MGAMAMY1AGAASIMGAM2
SCHEMBL28836741 0.83 MGAM (0.71) MGAMAMY1AGAASIMGAM2
SCHEMBL29728228 0.83 MGAM (0.71) MGAMAMY1AGAASIMGAM2
SCHEMBL6134508 0.82 MGAM (0.80) MGAMAMY1AGAASIMGAM2
SCHEMBL27397036 0.82 F12 (1.00) MGAMAMY1AGAASIMGAM2
SCHEMBL29995807 0.82 MGAM (0.69) MGAMAMY1AGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2019-07-04 US disclosed
US-8603917-B2 Method of processing a wafer AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-12-10 US disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
US-20120178258-A1 METHOD OF PROCESSING A WAFER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2012-07-12 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-6608066-B1 Treating mammal susceptible to, suffering from, suspected of having or recovering from disease impacted by tissue factor, such as cardiovascular, blood coagulation, cell proliferation or immune disorders, atherosclerosis, inflammation or cancer SUNOL MOLECULAR CORPORATION 2003-08-19 US disclosed
US-6608066-B1 Treating mammal susceptible to, suffering from, suspected of having or recovering from disease impacted by tissue factor, such as cardiovascular, blood coagulation, cell proliferation or immune disorders, atherosclerosis, inflammation or cancer SUNOL MOLECULAR CORPORATION 2003-08-19 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 (2 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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX MGAM 147/4885AMY1A 2879/4885GAA 2000/4885
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION HMOX1, HMOX2, PPOX MGAM 679/4885AMY1A 2975/4885GAA 504/4885

“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.