SCHEMBL549116

SCHEMBL549116

COc1ccc(-c2nnn(-c3ccc(C(F)(F)F)cc3OC)c2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
CACNA1D Q01668 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41

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
SCHEMBL549105 0.91 POLB (0.54) POLBRAB9AL3MBTL1GABRA2GABRB2
SCHEMBL548181 0.87 POLB (0.59) POLBRAB9AL3MBTL1GABRA2GABRB2
SCHEMBL1550424 0.79 RAB9A (0.53) POLBRAB9AL3MBTL1MAPTHSP90AA1
SCHEMBL549131 0.79 GABRA2 (0.45) POLBRAB9AL3MBTL1GABRA2GABRB2
SCHEMBL548238 0.77 GABRA2 (0.49) POLBRAB9AGABRA2GABRB2MAPT
SCHEMBL1551144 0.76 RAB9A (0.45) POLBRAB9AGABRA2GABRB2MAPT
SCHEMBL548171 0.76 POLB (0.47) POLBRAB9AL3MBTL1MAPTKDM4E
SCHEMBL2260964 0.75 POLB (0.44) POLBRAB9AL3MBTL1GABRA2GABRB2
SCHEMBL2258147 0.75 IDO1 (0.42) POLBRAB9AL3MBTL1GABRA2GABRB2
SCHEMBL548243 0.75 GABRA2 (0.47) POLBRAB9AGABRA2GABRB2MAPT

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-8110588-B2 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-02-07 US disclosed
US-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-09-02 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-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNB3, CHRNA5 POLB 4113/4885RAB9A 3038/4885L3MBTL1 4050/4885

“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.