Sugi Predict

Sugi Predict / Compounds / SCHEMBL3524974

SCHEMBL3524974

SCHEMBL3524974

COC(=O)CCC#Cc1cc(F)c(Cl)cc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34

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
SCHEMBL3526355 0.89 L3MBTL1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30759036 0.80 GABRP (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3520159 0.79 GABRP (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3526404 0.79 ALDH1A1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3527600 0.79 MAPT (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31487595 0.77 HSD17B10 (0.36) HDAC1HDAC11GABRPGABRDGABRA1
SCHEMBL3524291 0.74 KDM4E (0.43) HDAC11GABRPGABRDGABRA1GABRB1
SCHEMBL3521633 0.73 CFTR (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3526109 0.73 CFTR (0.46) HDAC2GABRPGABRDGABRA1GABRB1
SCHEMBL3524025 0.73 CREBBP (0.40) HDAC11GABRPGABRDGABRA1GABRB1

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 HDAC3 1790/4885HDAC4 2622/4885HDAC1 1994/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG HDAC3 642/4885HDAC4 1329/4885HDAC1 1235/4885

“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.