SCHEMBL6503969

SCHEMBL6503969

Cc1cc(C)cc(C(C=O)c2ccnc(OCc3ccccc3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.39
TACR1 P25103 4/20 0.39
ACACB O00763 2/20 0.39
TSPO P30536 1/20 0.37
PKM P14618 1/20 0.36
GRM5 P41594 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
FFAR1 O14842 1/20 0.34
MAPK14 Q16539 1/20 0.34
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
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 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
SCHEMBL13154794 0.76 ACACB (0.46) GABRA5ACACBPKMMAOBMAPK14
SCHEMBL30171098 0.76 ACACB (0.46) GABRA5ACACBPKMMAOBMAPK14
Bromide SCHEMBL3891497 0.74 ACACB (0.40) GABRA5ACACBTSPOMAOBFFAR1
SCHEMBL6499677 0.74 UHRF1 (0.42)
SCHEMBL3887646 0.74 GABRA5 (0.50) GABRA5ACACBTSPOPKMMAOA
SCHEMBL28969181 0.73 ACACB (0.44) GABRA5ACACBPKMMAOBFFAR1
SCHEMBL5899050 0.72 NOS3 (0.46) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL24646024 0.71 ACACB (0.45) GABRA5ACACBPKMFFAR1MAPK14
SCHEMBL28969166 0.71 ACACB (0.45) GABRA5ACACBPKMFFAR1MAPK14
SCHEMBL30313723 0.71 ACACB (0.45) GABRA5ACACBPKMFFAR1MAPK14

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-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 GABRA5 3273/4885TACR1 563/4885ACACB 3170/4885

“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.