SCHEMBL17435409

SCHEMBL17435409

CC(=O)c1ccc(C#CBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.46
MAPT P10636 5/20 0.45
HPGD P15428 4/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HSD17B1 P14061 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 2/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RARB P10826 1/20 0.40

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
SCHEMBL10411946 0.82 ACACB (0.49) ACACBMAPTHPGDRAB9ALMNA
SCHEMBL10001336 0.80 ACACB (0.47) ACACBMAPTHPGDRAB9ALMNA
SCHEMBL13832384 0.80 RARB (0.55) ACACBALDH1A1SMN1; SMN2RARBRARG
SCHEMBL400497 0.78 MAPT (0.59) ACACBMAPTHPGDRAB9ALMNA
SCHEMBL15960257 0.78 RARB (0.63) ACACBMAPTHPGDRAB9ALMNA
SCHEMBL28470154 0.78 ACACB (0.46) ACACBMAPTHPGDRAB9ALMNA
SCHEMBL10445157 0.78 ACACB (0.46) ACACBMAPTHPGDRAB9ALMNA
SCHEMBL22779091 0.78 PARP10 (0.47) MAPTL3MBTL1KMT2AALDH1A1NOS1
SCHEMBL21258344 0.78 ALDH1A1 (0.41) HPGDRAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL22779121 0.78 KDM4E (0.44) ACACBGAAKDM4ERARBRARG

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 ACACB 3647/4885MAPT 4489/4885HPGD 593/4885
US-20170369426-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS ACACB 3647/4885MAPT 4489/4885HPGD 593/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS ACACB 3647/4885MAPT 4489/4885HPGD 593/4885

“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.