SCHEMBL17829759

SCHEMBL17829759

O=c1[nH]c(-c2ccc3ccccc3c2)nc2c(-c3cccnc3)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
CYP11B1 P15538 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP17A1 P05093 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP11B2 P19099 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TNKS O95271 10/20 0.49
TNKS2 Q9H2K2 10/20 0.49
PARP1 P09874 9/20 0.49
KDM4C Q9H3R0 1/20 0.48

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
SCHEMBL17829629 0.88 TNKS (0.56) NPC1RAB9ATNKSTNKS2PARP1
SCHEMBL17829633 0.77 TNKS (0.53) TNKSTNKS2PARP1PARP2
SCHEMBL17829611 0.77 TNKS (0.72) NPC1RAB9ATNKSTNKS2PARP1
SCHEMBL17829732 0.73 TNKS (0.71) NPC1RAB9ATNKSTNKS2PARP1
SCHEMBL17320747 0.73 CYP11B1 (0.60) HPGDKDM4EALDH1A1MAPTCYP11B1
SCHEMBL4505299 0.72 TNKS (0.71) HPGDKDM4EALDH1A1MAPTNPC1
SCHEMBL29784025 0.72 TNKS (0.71) HPGDKDM4EALDH1A1MAPTNPC1
SCHEMBL7280833 0.71 HPGD (1.00) HPGDKDM4EALDH1A1MAPTNPC1
SCHEMBL17320746 0.70 CYP11B1 (0.56) HPGDKDM4EALDH1A1MAPTCYP11B1
SCHEMBL8816555 0.70 DHODH (0.51) NPC1RAB9AMEN1POLBKMT2A

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 HPGD 826/4885KDM4E 4525/4885ALDH1A1 4840/4885

“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.