SCHEMBL3964313

SCHEMBL3964313

CC(C)(C)OC(=O)c1cc2c(Br)cccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.52
FLT3 P36888 3/20 0.50
GABRA1 P14867 11/20 0.46
GABRG2 P18507 11/20 0.46
GABRB3 P28472 11/20 0.46
GABRA3 P34903 11/20 0.46
GABRA2 P47869 11/20 0.46
GABRA5 P31644 9/20 0.46
GABRA6 Q16445 8/20 0.46
GABRA4 P48169 5/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRE P78334 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2205092 0.84 HRH4 (0.56) HRH4FLT3GABRA1GABRG2GABRB3
SCHEMBL28046328 0.83 HRH4 (0.52) HRH4FLT3GABRA1GABRG2GABRB3
SCHEMBL31513837 0.83 HRH4 (0.52) HRH4FLT3GABRA1GABRG2GABRB3
SCHEMBL30228606 0.82 GABRA1 (0.45) HRH4FLT3GABRA1GABRG2GABRB3
SCHEMBL3969314 0.81 GABRA1 (0.44) HRH4FLT3GABRA1GABRG2GABRB3
SCHEMBL2204502 0.80 KDM4E (0.55) HRH4FLT3GABRA1GABRG2GABRB3
SCHEMBL2440393 0.80 HRH4 (0.52) HRH4FLT3GABRA1GABRG2GABRB3
SCHEMBL31439894 0.79 NPC1 (0.47) HRH4FLT3KDM4EALDH1A1HSD17B10
SCHEMBL27893658 0.79 GABRA1 (0.41) HRH4FLT3GABRA1GABRG2GABRB3
SCHEMBL145350 0.77 FLT3 (0.58) HRH4FLT3KDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
US-7196103-B2 Indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-27 US disclosed
CN-1283638-C Indole-2-formamide compounds as factor Xa inhibitors AVENTIS PHARMA GMBH (DE) 2006-11-08 CN disclosed
EP-1633746-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-15 EP disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
CN-1589270-A Indole-2-formamide compounds as factor Xa inhibitors AVENTIS PHARMA GMBH (DE) 2005-03-02 CN disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
US-20050033049-A1 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-10 US disclosed
WO-2004101554-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 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-20050033049-A1 Indole derivatives as factor Xa inhibitors TFPI, TFPI2, F2 HRH4 1888/4885FLT3 1092/4885GABRA1 3779/4885
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 HRH4 471/4885FLT3 303/4885GABRA1 2986/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 HRH4 848/4885FLT3 693/4885GABRA1 3310/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 HRH4 626/4885FLT3 398/4885GABRA1 2864/4885

“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.