SCHEMBL360437

SCHEMBL360437

COc1ccnc2ccc(C=O)cc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TSHR P16473 1/20 0.53
FDPS P14324 1/20 0.50
AOX1 Q06278 1/20 0.49
TRIM24 O15164 1/20 0.49
HPGD P15428 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
MAPT P10636 2/20 0.47
DOT1L Q8TEK3 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ERN1 O75460 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TTR P02766 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
SCHEMBL368529 0.86 ALDH1A1 (0.53) ALDH1A1TSHRFDPSHPGDTDP1
SCHEMBL5500810 0.85 FDPS (0.50) ALDH1A1TSHRFDPSHPGDMAPT
SCHEMBL5503519 0.82 FDPS (0.43) ALDH1A1FDPSHPGDTDP1MAPT
SCHEMBL28597905 0.80 FDPS (0.41) ALDH1A1FDPSHPGDMAPTKDM4E
SCHEMBL5505221 0.80 TTR (0.51) ALDH1A1PDGFRAKDM4ETTR
SCHEMBL19957325 0.80 ALDH1A1 (0.52) ALDH1A1TSHRTDP1PDGFRBPDGFRA
SCHEMBL5500165 0.80 ADRB2 (0.43) FDPSMAPTDOT1LKDM4ENPSR1
SCHEMBL29935762 0.79 SMN1; SMN2 (0.47) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL4585191 0.79 SMN1; SMN2 (0.47) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL5503064 0.79 APP (0.43) ALDH1A1TSHRFDPSHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 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 (3 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR ALDH1A1 4544/4885TSHR 2656/4885FDPS 3326/4885
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CDK1, CDK14, CDK17 ALDH1A1 3777/4885TSHR 3130/4885FDPS 2938/4885
US-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET ALDH1A1 762/4885TSHR 2091/4885FDPS 1943/4885

“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.