SCHEMBL17717101

SCHEMBL17717101

O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1nc2ccccc2s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.77
▸ KMT2A Q03164 6/20 0.77
▸ LMNA P02545 6/20 0.77
▸ TDP1 Q9NUW8 5/20 0.77
▸ KDM4E B2RXH2 5/20 0.77
▸ HTT P42858 3/20 0.77
▸ SMN1; SMN2 Q16637 6/20 0.72
▸ PKM P14618 3/20 0.72
▸ CRHBP P24387 2/20 0.72
▸ CRHR2 Q13324 2/20 0.72
▸ HPGD P15428 2/20 0.72
▸ MAPK1 P28482 1/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.71
▸ SAE1 Q9UBE0 1/20 0.71
▸ UBA2 Q9UBT2 1/20 0.71
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ OPRK1 P41145 2/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ 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
SCHEMBL17717069 0.87 MEN1 (1.00) MEN1KMT2ALMNATDP1KDM4E
SCHEMBL17717125 0.85 LMNA (0.81) MEN1KMT2ALMNATDP1KDM4E
SCHEMBL17717059 0.84 KDM4E (0.75) MEN1KMT2ALMNATDP1KDM4E
SCHEMBL17717141 0.81 TDP1 (0.68) MEN1KMT2ALMNATDP1KDM4E
SCHEMBL17717056 0.81 LMNA (0.68) MEN1KMT2ALMNATDP1KDM4E
SCHEMBL17717020 0.79 KDM4E (0.83) MEN1KMT2ALMNATDP1KDM4E
SCHEMBL17717039 0.79 KDM4E (0.71) MEN1KMT2ALMNATDP1KDM4E
SCHEMBL17717129 0.79 KDM4E (0.78) MEN1KMT2ALMNATDP1KDM4E
SCHEMBL17717074 0.77 KDM4E (0.72) MEN1KMT2ALMNATDP1KDM4E
SCHEMBL17717140 0.77 MAPK1 (0.74) MEN1KMT2ALMNATDP1KDM4E

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 MEN1 4528/4885KMT2A 809/4885LMNA 1893/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR MEN1 4528/4885KMT2A 809/4885LMNA 1893/4885

“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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