SCHEMBL3571206

SCHEMBL3571206

CC(C)(CN1CCCC1)Oc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LTA4H P09960 1/20 0.46
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KMT2A Q03164 1/20 0.39
PSMB1 P20618 2/20 0.39
PSMB5 P28074 2/20 0.39
PSMB2 P49721 2/20 0.39
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVR1B P36896 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
TDP1 Q9NUW8 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
SCHEMBL16112920 0.98 ATM (0.49) ATML3MBTL1LTA4HPTGS2KDM4E
SCHEMBL16112300 0.82 ALDH1A1 (0.46) L3MBTL1LTA4HPTGS2KDM4EPOLB
SCHEMBL3580933 0.80 ACVR1 (0.36) ATMKDM4EGPR119HRH3KMT2A
SCHEMBL16112171 0.76 HRH3 (0.51) LTA4HPTGS2KDM4EPOLBHRH3
SCHEMBL16112028 0.73 CA1 (0.41) GPR119PSMB1PSMB5PSMB2BMPR1B
SCHEMBL17476827 0.72 ALDH1A1 (0.42) L3MBTL1KDM4EKMT2ATDP1
SCHEMBL3723070 0.72 ALDH1A1 (0.42) L3MBTL1KDM4EKMT2ATDP1
SCHEMBL11741062 0.72 LTA4H (0.46) ATML3MBTL1LTA4HPTGS2KDM4E
SCHEMBL11740923 0.71 ATM (0.48) ATML3MBTL1LTA4HPTGS2POLB
SCHEMBL11743959 0.71 ATM (0.48) ATML3MBTL1LTA4HPTGS2POLB

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-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

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 ATM 3830/4885L3MBTL1 3471/4885LTA4H 152/4885

“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.