SCHEMBL3520159

SCHEMBL3520159

COC(=O)CCC#Cc1cc(F)ccc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
KEAP1 Q14145 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL3527600 0.84 MAPT (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3524291 0.84 KDM4E (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3526109 0.83 CFTR (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3524025 0.83 CREBBP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3524209 0.82 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3524738 0.80 ALDH1A1 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30759076 0.79 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3524974 0.79 HDAC3 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3526355 0.78 L3MBTL1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30759036 0.76 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436040-B2 Method of treating conditions involving PPAR-receptors with indole compounds LABORATOIRES FOURNIER S.A. (FR) 2013-05-07 US disclosed
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds LABORATORIES FOURNIER S.A. (FR) 2010-11-11 US disclosed
US-7795297-B2 Indole compounds, method of preparing them and uses thereof LABORATORIES FOURNIER S.A. (FR) 2010-09-14 US disclosed
US-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-06-26 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 (2 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-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LIPG, GPR119, IAPP GABRP 3264/4885GABRD 4349/4885GABRA1 3464/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG GABRP 488/4885GABRD 894/4885GABRA1 735/4885

“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.