SCHEMBL17717064

SCHEMBL17717064

COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.67
▸ GAA P10253 1/20 0.67
▸ CSNK2A2 P19784 1/20 0.65
▸ CSNK2A1 P68400 1/20 0.65
▸ ADCY1 Q08828 8/20 0.65
▸ ADCY8 P40145 4/20 0.65
▸ LMNA P02545 3/20 0.64
▸ OPRK1 P41145 2/20 0.64
▸ RECQL P46063 1/20 0.64
▸ CCR6 P51684 1/20 0.64
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ RAB9A P51151 1/20 0.57
▸ HTT P42858 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.56

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
SCHEMBL13430346 0.87 CSNK2A2 (0.79) KDM4EGAACSNK2A2CSNK2A1ADCY1
SCHEMBL17717128 0.80 KDM4E (0.69) KDM4EADCY1ADCY8LMNAMEN1
SCHEMBL17717029 0.80 KDM4E (0.77) KDM4EADCY1ADCY8LMNAOPRK1
SCHEMBL12525970 0.79 CSNK2A2 (1.00) KDM4ECSNK2A2CSNK2A1ADCY1LMNA
SCHEMBL20598056 0.79 ADCY1 (1.00) KDM4ECSNK2A2CSNK2A1ADCY1ADCY8
SCHEMBL17717078 0.79 ADCY1 (0.69) KDM4ECSNK2A2CSNK2A1ADCY1ADCY8
SCHEMBL27837897 0.79 ADCY1 (0.77) KDM4EADCY1ADCY8LMNAOPRK1
SCHEMBL20598199 0.79 ADCY1 (1.00) KDM4EADCY1ADCY8LMNAOPRK1
SCHEMBL20598526 0.78 ADCY1 (1.00) KDM4ECSNK2A2CSNK2A1ADCY1ADCY8
SCHEMBL20598520 0.78 ADCY1 (1.00) KDM4ECSNK2A2CSNK2A1ADCY1ADCY8

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 916/4885GAA 1410/4885CSNK2A2 3019/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR KDM4E 916/4885GAA 1410/4885CSNK2A2 3019/4885

“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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