SCHEMBL17435488

SCHEMBL17435488

C#Cc1ccc(-c2ccnc(C(=O)OC)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.47
GLRB P48167 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ACACB O00763 1/20 0.44
AR P10275 1/20 0.40
KDM4C Q9H3R0 2/20 0.39
FDPS P14324 1/20 0.39
NR4A2 P43354 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90B1 P14625 1/20 0.38
KMO O15229 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL30800091 0.84 ALDH1A1 (0.54) ALDH1A1ACACBARKDM4CKMO
SCHEMBL13188268 0.81 EGFR (0.51) ALDH1A1NR4A2KMO
SCHEMBL14210410 0.81 FDPS (0.48) ALDH1A1ARFDPSNR4A2TP53
SCHEMBL28439747 0.81 NR4A2 (0.50) ALDH1A1ARKDM4CNR4A2MAPK1
SCHEMBL27237665 0.80 ALDH1A1 (0.52) ALDH1A1KMOMAPTMETKDM4E
SCHEMBL13188759 0.80 DYRK1A (0.58) ALDH1A1FDPSMAPTMETKDM4E
SCHEMBL2958040 0.80 SLC6A4 (0.46) ALDH1A1MAPTMETKDM4E
SCHEMBL3712463 0.80 ACACB (0.47) ALDH1A1ACACBARNR4A2KMO
SCHEMBL3712306 0.80 ALDH1A1 (0.51) ALDH1A1NR4A2MAPTGABRA1GABRG2
SCHEMBL29735406 0.80 ALDH1A1 (0.51) ALDH1A1NR4A2MAPTGABRA1GABRG2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369426-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-12-28 US disclosed
US-20170369426-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-12-28 US disclosed
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 US disclosed
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 US disclosed
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 US disclosed
US-9403758-B2 Antibacterial agents ACHAOGEN, INC. (US) 2016-08-02 US disclosed
US-9403758-B2 Antibacterial agents ACHAOGEN, INC. (US) 2016-08-02 US disclosed
US-9403758-B2 Antibacterial agents ACHAOGEN, INC. (US) 2016-08-02 US disclosed
US-20160016895-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-01-21 US disclosed
US-20160016895-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-01-21 US disclosed
US-20160016895-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-01-21 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 (3 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-20160016895-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS GLRA3 3914/4885GLRB 1992/4885ALDH1A1 1168/4885
US-20170369426-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS GLRA3 3914/4885GLRB 1992/4885ALDH1A1 1168/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS GLRA3 3914/4885GLRB 1992/4885ALDH1A1 1168/4885

“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.