SCHEMBL17717072

SCHEMBL17717072

COc1cccc2cc(-c3nnc(NC(=O)c4nc5ccccc5s4)o3)oc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.61
▸ CRHBP P24387 2/20 0.61
▸ CRHR2 Q13324 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ SAE1 Q9UBE0 1/20 0.61
▸ UBA2 Q9UBT2 1/20 0.61
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ HTT P42858 5/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ TDP1 Q9NUW8 4/20 0.57
▸ PKM P14618 4/20 0.57
▸ HPGD P15428 1/20 0.57
▸ LMNA P02545 4/20 0.56
▸ ADCY8 P40145 1/20 0.54
▸ ADCY1 Q08828 1/20 0.54
▸ MAPT P10636 4/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50

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
SCHEMBL17717039 0.83 KDM4E (0.71) KDM4ECRHBPCRHR2MAPK1NPSR1
SCHEMBL17717121 0.81 F10 (0.51) MEN1KMT2ASMN1; SMN2TDP1HPGD
SCHEMBL14803227 0.78 MEN1 (0.47) KDM4ECRHBPCRHR2MAPK1NPSR1
SCHEMBL17717044 0.78 RAB9A (0.72) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL17716987 0.77 KDM4E (0.62) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL17717129 0.77 KDM4E (0.78) KDM4ECRHBPCRHR2MAPK1NPSR1
SCHEMBL17716986 0.76 LMNA (0.69) KDM4ECRHBPCRHR2MAPK1MEN1
SCHEMBL17717020 0.75 KDM4E (0.83) KDM4ECRHBPCRHR2MAPK1NPSR1
SCHEMBL17717140 0.75 MAPK1 (0.74) KDM4ECRHBPCRHR2MAPK1NPSR1
SCHEMBL17717056 0.73 LMNA (0.68) KDM4ECRHBPCRHR2MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 — — US disclosed
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 — — US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 — — US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 — — US disclosed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 — — US disclosed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 — — 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-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR KDM4E 916/4885CRHBP 1070/4885CRHR2 2042/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR KDM4E 916/4885CRHBP 1070/4885CRHR2 2042/4885

“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.

Send feedback