SCHEMBL8075174

SCHEMBL8075174

COC(=O)c1ccccc1Oc1ccccc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
HSD17B10 Q99714 2/20 0.68
CFTR P13569 1/20 0.68
SLC6A3 Q01959 2/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTT P42858 2/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
ADRA2B P18089 1/20 0.47

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
SCHEMBL2441955 0.89 SLC6A3 (0.65) ALDH1A1HSD17B10CFTRSLC6A3KMT2A
SCHEMBL7126406 0.87 ALDH1A1 (0.60) ALDH1A1HSD17B10CFTRSLC6A3TSHR
SCHEMBL8076871 0.85 MAPT (0.55) ALDH1A1HSD17B10CFTRSLC6A3KMT2A
SCHEMBL4579128 0.85 USP2 (0.63) ALDH1A1HSD17B10CFTRSLC6A3KMT2A
SCHEMBL1339901 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRSLC6A3KMT2A
SCHEMBL1365492 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRSLC6A3KMT2A
SCHEMBL7119440 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10CFTRSLC6A3TSHR
SCHEMBL7608793 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRSLC6A3KMT2A
SCHEMBL5739338 0.84 ALDH1A1 (0.51) ALDH1A1HSD17B10CFTRKMT2AMEN1
SCHEMBL26306443 0.84 ABL1 (0.57) ALDH1A1HSD17B10CFTRSLC6A3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101596-B2 Loxapine analogs and methods of use thereof HYPNION INC. (US) 2012-01-24 US disclosed
US-8101596-B2 Loxapine analogs and methods of use thereof HYPNION INC. (US) 2012-01-24 US disclosed
EP-2343286-A1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase Methylgene, Inc. (CA) 2011-07-13 EP disclosed
US-7592333-B2 Loxapine analogs and methods of use thereof HYPNION, INC. (US) 2009-09-22 US disclosed
US-7592333-B2 Loxapine analogs and methods of use thereof HYPNION, INC. (US) 2009-09-22 US disclosed
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF EDGAR DALE M 2009-07-23 US disclosed
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF EDGAR DALE M 2009-07-23 US disclosed
EP-0799198-B1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2000-08-30 EP disclosed
EP-0799198-A4 1997-10-15 EP disclosed
EP-0799198-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-08 EP disclosed
US-5545669-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORPORATION 1996-08-13 US disclosed
WO-1995033461-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
WO-1995033460-A1 ANTI-INFLAMMATORY COUMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
US-5447957-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORP. (US) 1995-09-05 US 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 (1 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-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF HCRTR2, HCRTR1, HTR3B ALDH1A1 1642/4885HSD17B10 1579/4885CFTR 4742/4885

“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.