SCHEMBL17717029

SCHEMBL17717029

Cc1cccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.77
▸ LMNA P02545 4/20 0.77
▸ ALDH1A1 P00352 1/20 0.77
▸ GFER P55789 1/20 0.77
▸ KMT2A Q03164 2/20 0.65
▸ ADCY1 Q08828 11/20 0.63
▸ L3MBTL1 Q9Y468 3/20 0.61
▸ HTT P42858 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ OPRK1 P41145 1/20 0.61
▸ CCR6 P51684 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ RAB9A P51151 1/20 0.59
▸ ADCY8 P40145 4/20 0.58

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
SCHEMBL17717128 0.89 KDM4E (0.69) KDM4ELMNAALDH1A1GFERKMT2A
SCHEMBL30656643 0.81 KDM4E (0.72) KDM4ELMNAALDH1A1GFERKMT2A
SCHEMBL26665252 0.81 KDM4E (0.72) KDM4ELMNAALDH1A1GFERKMT2A
SCHEMBL8770851 0.81 LCLAT1 (0.68) KDM4ELMNAALDH1A1GFERKMT2A
SCHEMBL17717017 0.81 KDM4E (0.65) KDM4ELMNAALDH1A1GFERKMT2A
SCHEMBL17717116 0.81 ADCY1 (0.80) KDM4ELMNAKMT2AADCY1L3MBTL1
SCHEMBL17717064 0.80 KDM4E (0.67) KDM4ELMNAALDH1A1KMT2AADCY1
SCHEMBL15925491 0.79 LMNA (1.00) KDM4ELMNAALDH1A1GFERKMT2A
SCHEMBL17717061 0.78 LMNA (0.64) KDM4ELMNAALDH1A1GFERKMT2A
SCHEMBL20598199 0.78 ADCY1 (1.00) KDM4ELMNAADCY1OPRK1CCR6

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 1893/4885ALDH1A1 2647/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR KDM4E 916/4885LMNA 1893/4885ALDH1A1 2647/4885

“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.

Send feedback