SCHEMBL3567993

SCHEMBL3567993

Brc1ccc(NC2CCCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
APAF1 O14727 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
FDFT1 P37268 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
IP6K1 Q92551 1/20 0.39
HCAR3 P49019 1/20 0.39
HDAC3 O15379 1/20 0.38

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
SCHEMBL1670854 0.92 FDFT1 (0.42) KDM4EMAPTHSD17B10ALDH1A1MEN1
SCHEMBL34471244 0.84 MAPK1 (0.46) MAPK1FDFT1HDAC3HDAC1HDAC2
SCHEMBL8514901 0.78 POLB (0.38) KDM4EMAPTALDH1A1MAPK1POLB
SCHEMBL25501705 0.76 KDM4E (0.46) KDM4EMAPTHSD17B10ALDH1A1MEN1
SCHEMBL28721644 0.75 INSR (0.50) HDAC3HDAC1HDAC2HDAC6
SCHEMBL29695712 0.75 INSR (0.50) HDAC3HDAC1HDAC2HDAC6
SCHEMBL11526739 0.75 MAPT (0.63) KDM4EMAPTHSD17B10ALDH1A1MEN1
SCHEMBL17054985 0.74 KIT (0.41) KDM4EMAPTHSD17B10ALDH1A1MEN1
SCHEMBL13147783 0.74 ALDH1A1 (0.46) KDM4EMAPTHSD17B10ALDH1A1MEN1
SCHEMBL3297033 0.74 FDFT1 (0.35) FDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 US disclosed
CN-101006053-A Indoles useful for treating inflammation BIOLIPOX AB (SE) 2007-07-25 CN disclosed
EP-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES KDM4E 2368/4885MAPT 3268/4885HSD17B10 602/4885

“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.