SCHEMBL6160225

SCHEMBL6160225

C#Cc1cccc(NCc2ccc(OC(C)=O)c(OC)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.51
IGF1R P08069 1/20 0.51
PTGS1 P23219 1/20 0.47
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MRGPRX1 Q96LB2 1/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC3 O15379 1/20 0.43
EGFR P00533 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL2335231 0.76 TSHR (0.57) PTGS1MAPTALDH1A1GAAKDM4E
SCHEMBL4716559 0.76 HIF1A (0.60) INSRIGF1RPTGS1POLBMEN1
SCHEMBL6165618 0.75 INSR (0.46) INSRIGF1RPTGS1MAPTALDH1A1
SCHEMBL2009538 0.73 ALDH1A1 (0.65) PTGS1ALDH1A1POLBTDP1MEN1
SCHEMBL6159464 0.72 MEN1 (0.53) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL21345576 0.71 PTGS1 (0.58) INSRIGF1RPTGS1ALDH1A1POLB
SCHEMBL6111172 0.70 SMN1; SMN2 (0.57) MAPTALDH1A1GAATDP1MEN1
SCHEMBL3818805 0.70 ALDH1A1 (0.60) PTGS1ALDH1A1POLBTDP1MEN1
SCHEMBL3818808 0.70 ALDH1A1 (0.60) PTGS1ALDH1A1POLBTDP1MEN1
SCHEMBL5133639 0.69 PTGS1 (0.68) PTGS1MAPTALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP claimed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP claimed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO claimed
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US disclosed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP disclosed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP disclosed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP INSR 2036/4885IGF1R 569/4885PTGS1 460/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP INSR 1878/4885IGF1R 751/4885PTGS1 507/4885

“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.