SCHEMBL17717094

SCHEMBL17717094

O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc2ncsc2c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.67
▸ LMNA P02545 4/20 0.67
▸ MAPT P10636 2/20 0.67
▸ HTT P42858 2/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ RAB9A P51151 8/20 0.65
▸ NPC1 O15118 7/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ ADCY1 Q08828 7/20 0.60
▸ ADCY8 P40145 2/20 0.54
▸ GFER P55789 1/20 0.51
▸ ALOX12 P18054 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL17716973 0.89 KDM4E (0.67) KDM4ELMNAMAPTHTTALDH1A1
SCHEMBL17717079 0.83 NPC1 (0.60) KDM4ELMNAMAPTHTTALDH1A1
SCHEMBL16689130 0.79 RAB9A (0.63) KDM4ELMNAMAPTHTTALDH1A1
SCHEMBL17717103 0.79 NPC1 (0.66) KDM4ELMNAMAPTHTTALDH1A1
SCHEMBL17717067 0.78 NPC1 (0.67) KDM4ELMNAMAPTHTTALDH1A1
SCHEMBL17717014 0.78 NPC1 (0.64) KDM4ELMNAMAPTHTTALDH1A1
SCHEMBL17717128 0.77 KDM4E (0.69) KDM4ELMNAMAPTHTTALDH1A1
SCHEMBL20598199 0.76 ADCY1 (1.00) KDM4ELMNARAB9AADCY1ADCY8
SCHEMBL27837897 0.76 ADCY1 (0.77) KDM4ELMNAMAPTHTTALDH1A1
SCHEMBL17717063 0.75 ADCY1 (0.87) KDM4ELMNAMAPTHTTALDH1A1

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 916/4885LMNA 1893/4885MAPT 4669/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR KDM4E 916/4885LMNA 1893/4885MAPT 4669/4885

“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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