SCHEMBL17829707

SCHEMBL17829707

O=[N+]([O-])c1cccc2c(-c3ccc(-c4cccc5ccccc45)cc3)n[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
NOS1 P29475 2/20 0.46
CYP2C19 P33261 2/20 0.46
NOS2 P35228 2/20 0.46
BLM P54132 2/20 0.46
HPGD P15428 2/20 0.46
THRB P10828 1/20 0.46
APEX1 P27695 1/20 0.46
NOS3 P29474 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL4788120 0.80 LRRK2 (0.56) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL2995599 0.78 FBP1 (0.46) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL2867790 0.74 FBP1 (0.55) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL12728633 0.74 ALDH1A1 (0.64) ALDH1A1MAPTTDP1KDM4ECYP3A4
SCHEMBL19049262 0.73 IDO1 (0.62) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL30799435 0.73 MAPT (0.50) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL27143397 0.73 MAPT (0.50) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL347363 0.73 CA12 (0.54) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL29848512 0.72 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL31725 0.72 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 ALDH1A1 4840/4885MAPT 4581/4885MEN1 751/4885

“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.