SCHEMBL17717138

SCHEMBL17717138

O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Cl)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.62
▸ KDM4E B2RXH2 7/20 0.62
▸ KMT2A Q03164 5/20 0.62
▸ HTT P42858 4/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ HPGD P15428 4/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ CCR6 P51684 2/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ ADCY1 Q08828 6/20 0.58
▸ RAB9A P51151 2/20 0.57
▸ LMNA P02545 3/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ OPRK1 P41145 2/20 0.54
▸ HSP90AA1 P07900 1/20 0.54
▸ ALOX12 P18054 2/20 0.53
▸ MDM2 Q00987 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ ADCY8 P40145 2/20 0.49
▸ PKM P14618 1/20 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
SCHEMBL17717098 0.88 KMT2A (0.69) SMN1; SMN2KDM4EKMT2AHTTMEN1
SCHEMBL18838411 0.88 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EKMT2AHTTMEN1
SCHEMBL17717057 0.82 KMT2A (0.61) SMN1; SMN2KDM4EKMT2AHTTMEN1
SCHEMBL17717033 0.82 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EKMT2AHTTMEN1
SCHEMBL17717134 0.82 KDM4E (0.79) SMN1; SMN2KDM4EKMT2AHTTMEN1
SCHEMBL17717002 0.80 ADCY1 (0.69) SMN1; SMN2KDM4EKMT2AHTTMEN1
SCHEMBL17718699 0.79 SMN1; SMN2 (0.82) SMN1; SMN2KDM4EKMT2AHTTMEN1
SCHEMBL17716990 0.79 KMT2A (0.64) SMN1; SMN2KDM4EKMT2AHTTMEN1
SCHEMBL27837897 0.79 ADCY1 (0.77) SMN1; SMN2KDM4EKMT2AHTTMEN1
SCHEMBL17717028 0.78 KDM4E (0.76) SMN1; SMN2KDM4EKMT2AHTTMEN1

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 SMN1; SMN2 1662/4885KDM4E 916/4885KMT2A 809/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR SMN1; SMN2 1662/4885KDM4E 916/4885KMT2A 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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