SCHEMBL6277380

SCHEMBL6277380

C=[C]c1ccc(-c2cccnn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.40
DHODH Q02127 1/20 0.40
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GRM5 P41594 1/20 0.35
EP300 Q09472 2/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
WNT3A P56704 3/20 0.32
GOT1 P17174 1/20 0.31
CYP11B2 P19099 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL6851865 0.81 HDAC4 (0.38) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL2551622 0.81 HDAC4 (0.43) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL6850679 0.78 HDAC4 (0.43) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL13458062 0.75 GABRA1 (0.52) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL121970 0.74 RAB9A (0.50) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL29959678 0.74 RAB9A (0.50) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL6852198 0.74 HDAC4 (0.39) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL6876005 0.74 HDAC4 (0.39) HDAC4DHODHGABRA1GABRG2GABRB3
SCHEMBL218007 0.74 L3MBTL1 (0.49) HDAC4DHODHGRM5EP300SLC6A2
SCHEMBL6850684 0.74 SLC6A2 (0.49) HDAC4DHODHSLC6A2SLC6A4SLC6A3

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
WO-2005121160-A2 11, 12 CYCLIC THIOCARBAMATE MACROLIDE ANTIBACTERIAL AGENTS JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT (US) 2005-12-22 WO disclosed
US-20050250713-A1 11,12-Cyclic thiocarbamate macrolide antibacterial agents ZHU BIN 2005-11-10 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-20050250713-A1 11,12-Cyclic thiocarbamate macrolide antibacterial agents MRPL21, TTC14, MRPL12 HDAC4 526/4885DHODH 3119/4885GABRA1 3857/4885

“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.