SCHEMBL4000293

SCHEMBL4000293

COc1ccc2ccccc2c1C(=O)NCCO

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ADORA2A P29274 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
NCEH1 Q6PIU2 1/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL8327540 0.88 TAAR1 (0.49) TAAR1KDM4EMAPTPKMNCEH1
SCHEMBL24598580 0.82 TP53 (0.48) KDM4EMAPTGAANCEH1CNR2
SCHEMBL8331088 0.81 MEN1 (0.47) KDM4EMAPTPKMNCEH1CNR2
SCHEMBL11841026 0.81 MMP3 (0.55) KDM4EMAPTPKMNCEH1ALDH1A1
SCHEMBL11639850 0.80 TAAR1 (0.60) TAAR1MAPTPKM
SCHEMBL9243221 0.80 KDM4E (0.55) KDM4EMAPTGAAALDH1A1
SCHEMBL5223641 0.80 PPARG (0.52) TAAR1MAPTADORA2AGAAALDH1A1
SCHEMBL28863123 0.79 TP53 (0.48) GAANCEH1ALDH1A1
SCHEMBL11031506 0.78 CTSD (0.46) KDM4EMAPTPKMNCEH1CNR2
SCHEMBL4835053 0.78 MAPT (0.51) KDM4EMAPTPKMNCEH1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538105-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 US disclosed
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBVIE INC. 2005-05-19 US disclosed
WO-2005019191-A2 1, 1-DIOXIDO-4H-1,2,4-BENZOTHIADIAZINE DERIVATE UND VERWANDTE VERBINDUNGEN ALS INHIBITOREN DER HCV POLYMERASE ZUR BEHANDLUNG VON HEPATITIS C ABBOTT LABORATORIES (US) 2005-03-03 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 (2 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-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT TAAR1 4327/4885KDM4E 4295/4885MAPT 3826/4885
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone POLRMT, RNASE1, RNGTT TAAR1 3625/4885KDM4E 1165/4885MAPT 4086/4885

“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.