SCHEMBL17717141

SCHEMBL17717141

Cc1ccc(-c2nnc(NC(=O)c3nc4ccccc4s3)o2)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.68
▸ MEN1 O00255 4/20 0.68
▸ KMT2A Q03164 4/20 0.68
▸ LMNA P02545 3/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ CRHBP P24387 2/20 0.68
▸ CRHR2 Q13324 2/20 0.68
▸ HTT P42858 2/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ SAE1 Q9UBE0 1/20 0.68
▸ UBA2 Q9UBT2 1/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ PKM P14618 3/20 0.63
▸ HPGD P15428 2/20 0.63
▸ NPC1 O15118 4/20 0.59
▸ RAB9A P51151 4/20 0.59
▸ MAPT P10636 4/20 0.52
▸ TP53 P04637 2/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.49

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
SCHEMBL17717056 0.92 LMNA (0.68) TDP1MEN1KMT2ALMNAKDM4E
SCHEMBL17717129 0.85 KDM4E (0.78) TDP1MEN1KMT2ALMNAKDM4E
SCHEMBL17717101 0.81 MEN1 (0.77) TDP1MEN1KMT2ALMNAKDM4E
SCHEMBL17717069 0.81 MEN1 (1.00) TDP1MEN1KMT2ALMNAKDM4E
SCHEMBL17717125 0.80 LMNA (0.81) TDP1MEN1KMT2ALMNAKDM4E
SCHEMBL17717059 0.78 KDM4E (0.75) TDP1MEN1KMT2ALMNAKDM4E
SCHEMBL17717140 0.78 MAPK1 (0.74) TDP1MEN1KMT2ALMNAKDM4E
SCHEMBL17717020 0.78 KDM4E (0.83) TDP1MEN1KMT2ALMNAKDM4E
SCHEMBL17717039 0.77 KDM4E (0.71) TDP1MEN1KMT2ALMNAKDM4E
SCHEMBL17717074 0.76 KDM4E (0.72) TDP1MEN1KMT2ALMNAKDM4E

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 5 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

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 TDP1 3980/4885MEN1 4528/4885KMT2A 809/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR TDP1 3980/4885MEN1 4528/4885KMT2A 809/4885

“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.

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