SCHEMBL3013033

SCHEMBL3013033

CCOC(=O)c1[nH]c2ccc(Br)cc2c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRB2 P47870 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
HPGD P15428 2/20 0.53
XBP1 P17861 1/20 0.53
GPER1 Q99527 1/20 0.53
LMNA P02545 2/20 0.53
HIF1A Q16665 3/20 0.52
PRNP P04156 1/20 0.52

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
SCHEMBL18449769 0.91 GABRA1 (0.59) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL3011731 0.86 ALDH1A1 (0.69) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL8689527 0.86 ALDH1A1 (0.69) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL7556498 0.85 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL1503818 0.84 KMT2A (0.56) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL3001929 0.84 HIF1A (0.71) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL333983 0.84 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL7921819 0.84 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL19052185 0.83 CSF1R (0.56) ALDH1A1MAPTKDM4EGAASMN1; SMN2
SCHEMBL3103282 0.83 GABRA1 (0.62) ALDH1A1MAPTKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 US disclosed
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
US-20090042949-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-12 US disclosed
US-20080249091-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-10-09 US disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
WO-2008009924-A2 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-01-24 WO disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 US disclosed
EP-1844013-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-17 EP disclosed
EP-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
EP-1838669-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-03 EP 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-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed
WO-2006077365-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed
WO-2006077364-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO 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 (4 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 ALDH1A1 2672/4885MAPT 68/4885KDM4E 1317/4885
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES ALDH1A1 475/4885MAPT 3268/4885KDM4E 2368/4885
US-20080249091-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, ARG1 ALDH1A1 2274/4885MAPT 89/4885KDM4E 1522/4885
US-20090042949-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG ALDH1A1 2466/4885MAPT 60/4885KDM4E 1331/4885

“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.