SCHEMBL8690446

SCHEMBL8690446

O=Cc1cn(Cc2ccc(F)cc2)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
HTT P42858 5/20 1.00
LMNA P02545 3/20 0.73
TDP1 Q9NUW8 1/20 0.73
MAPT P10636 4/20 0.70
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
NPSR1 Q6W5P4 2/20 0.70
HSP90AA1 P07900 1/20 0.70
APP P05067 1/20 0.64
SNCA P37840 1/20 0.64
PTGS2 P35354 1/20 0.62
PARP1 P09874 1/20 0.60
POLB P06746 1/20 0.59
CNR2 P34972 1/20 0.59
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.57
CASP3 P42574 1/20 0.57

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
SCHEMBL28542658 0.89 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL29377589 0.88 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL1418988 0.88 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL29503950 0.87 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL8758318 0.87 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL4363978 0.87 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL4363865 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL15471742 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL29071626 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL30487284 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTLMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714240-B2 Vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-07-25 US disclosed
US-20160222000-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-08-04 US disclosed
EP-3046905-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-07-27 EP disclosed
CN-105130907-A Pyrimidine compounds and use thereof UNIV SHENYANG PHARMACEUTICAL 2015-12-09 CN disclosed
WO-2015042053-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-03-26 WO disclosed
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP 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-20160222000-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINB10 ALDH1A1 4514/4885SMN1; SMN2 2623/4885HTT 129/4885

“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.