SCHEMBL17829923

SCHEMBL17829923

O=C(Cl)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.65
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRB2 P47870 1/20 0.52
F7 P08709 1/20 0.51
F3 P13726 1/20 0.51
GPR84 Q9NQS5 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
LMNA P02545 1/20 0.46
RAB9A P51151 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
SCHEMBL27795085 0.90 GABRA1 (0.64) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL1558405 0.87 NR4A2 (0.61) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL22122306 0.86 CYP2A6 (0.51) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL5434549 0.86 NR4A2 (0.69) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL2085712 0.86 NR4A2 (0.69) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL1612772 0.83 LMNA (0.68) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL4685934 0.83 NR4A2 (0.65) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL1612926 0.83 NR4A2 (0.69) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL16920166 0.82 NR4A2 (0.60) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL26204080 0.82 NR4A2 (0.64) NR4A2GABRA1GABRB1GABRA3GABRB2

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 NR4A2 1597/4885GABRA1 3625/4885GABRB1 3734/4885

“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.