SCHEMBL3965725

SCHEMBL3965725

COC(=O)c1cc2cc(F)cc(F)c2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.55
HRH4 Q9H3N8 5/20 0.54
ALPL P05186 3/20 0.47
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
CFD P00746 1/20 0.39
FLT3 P36888 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
SCHEMBL16235908 0.86 HRH4 (0.56) XDHHRH4ALPLCYP1A2
SCHEMBL21235447 0.83 XDH (0.55) XDHHRH4ALPLCYP1A2GLA
SCHEMBL2770162 0.83 KDM4E (0.51) XDHHRH4GLAGAAKDM4E
SCHEMBL24113538 0.80 HRH4 (0.54) HRH4
SCHEMBL2576853 0.79 HPGD (0.56) HRH4KDM4EALDH1A1LMNAHPGD
SCHEMBL24843559 0.78 XDH (0.56) XDHALPLCYP1A2GLAGAA
SCHEMBL4787473 0.77 HRH4 (0.54) HRH4KDM4EALDH1A1LMNAHPGD
SCHEMBL25764958 0.77 HRH4 (0.54) HRH4KDM4EALDH1A1LMNAHPGD
SCHEMBL21685727 0.76 XDH (0.45) XDHHRH4ALPLCYP1A2GLA
SCHEMBL4276853 0.75 ULK1 (0.49) XDHALPLCYP1A2GLAGAA

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-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMAN-LA ROCHE INC. (US) 2019-01-29 US disclosed
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
EP-2997028-A1 AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F.HOFFMANN-LA ROCHE AG (CH) 2016-03-23 EP disclosed
US-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-03-10 US disclosed
WO-2014184163-A1 AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-11-20 WO disclosed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US 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 (6 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 XDH 84/4885HRH4 471/4885ALPL 2473/4885
US-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 XDH 172/4885HRH4 417/4885ALPL 3237/4885
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 XDH 172/4885HRH4 417/4885ALPL 3237/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 XDH 64/4885HRH4 848/4885ALPL 2187/4885
US-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection IDO1, ZC3HAV1, AZI2 XDH 161/4885HRH4 371/4885ALPL 3095/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 XDH 129/4885HRH4 626/4885ALPL 2339/4885

“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.