SCHEMBL16428545

SCHEMBL16428545

CCc1c(O)cc(=O)[nH]c1-c1ccc2cc[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
SHMT2 P34897 2/20 0.35
BACE1 P56817 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GPR84 Q9NQS5 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DAO P14920 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
TSHR P16473 1/20 0.31
PDE2A O00408 1/20 0.31
FABP4 P15090 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL16428706 0.83 BRD4 (0.40) BRD4SHMT2BACE1GAAMAPT
SCHEMBL14745149 0.76 PTPRC (0.33) BRD4PARP1PARP2MEN1KMT2A
SCHEMBL16428953 0.68 PIK3C3 (0.41) BRD4CYP1A2POLBCYP3A4CYP2C9
SCHEMBL14744784 0.68 RAB9A (0.47) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14745063 0.66 ERCC1 (0.54) BRD4
SCHEMBL14745065 0.66 MAPT (0.41) BRD4MAPTKDM4EALDH1A1
SCHEMBL14745385 0.66 DAO (0.41) MAPTGPR84MEN1KMT2ADAO
SCHEMBL16568099 0.66 GAA (0.32) SHMT2GAAKDM4EALDH1A1CACNA1B
SCHEMBL16568279 0.65 CHRNB2 (0.41) PARP1PARP2KDM4E
SCHEMBL14744698 0.65 HTT (0.47) SHMT2MAPTGPR84MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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 (1 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP BRD4 2439/4885SHMT2 3254/4885BACE1 3709/4885

“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.