SCHEMBL17623924

SCHEMBL17623924

Cc1nc(Oc2ccccc2)cc(C(F)(F)F)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.58
LOXL2 Q9Y4K0 3/20 0.53
LOX P28300 1/20 0.53
KDM4E B2RXH2 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
ATM Q13315 3/20 0.50
MAPT P10636 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.47
HTT P42858 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.43
SDHB P21912 1/20 0.43
SLC6A2 P23975 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
SCHEMBL17623907 0.86 ATM (0.63) BLMLOXL2LOXKDM4EL3MBTL1
SCHEMBL17623895 0.85 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL28853406 0.83 LOXL2 (0.48) BLMLOXL2KDM4EL3MBTL1CYP1A2
SCHEMBL29894285 0.83 LOXL2 (0.48) BLMLOXL2KDM4EL3MBTL1CYP1A2
SCHEMBL17608818 0.81 BLM (0.58) BLMLOXL2LOXKDM4EL3MBTL1
SCHEMBL17624259 0.81 SLC6A2 (0.51) BLMLOXL2LOXKDM4EL3MBTL1
SCHEMBL17623925 0.80 HTT (0.46) BLMKDM4EL3MBTL1CYP1A2CYP2C9
SCHEMBL19317600 0.80 BLM (0.54) BLMLOXL2LOXKDM4EL3MBTL1
SCHEMBL28853408 0.78 ALDH1A1 (0.56) BLMLOXL2LOXKDM4EL3MBTL1
SCHEMBL30636497 0.78 ALDH1A1 (0.56) BLMLOXL2LOXKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920053-B2 N-(hetero)aryl-substituted heteroyclic derivatives useful for the treatment of diseases or conditions related to the central nervous system CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-20 US disclosed
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253592-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 WO disclosed
WO-2016042453-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 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-20170253592-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM SLC6A3, SLC6A2, SLC6A19 BLM 3181/4885LOXL2 2664/4885LOX 2471/4885
US-20170253615-A1 Spirocyclic derivatives SLC6A3, SLC10A1, ABCB11 BLM 3025/4885LOXL2 2862/4885LOX 2373/4885

“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.