SCHEMBL20002539

SCHEMBL20002539

Cc1cc(C2(O)CCCCC2)c2[nH]ncc2c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
ATR Q13535 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
ACACB O00763 6/20 0.31
PDE7A Q13946 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20042248 0.85 ACACB (0.31) ACACB
SCHEMBL20001907 0.82 TDO2 (0.41) IDO1TDO2KDM5AKDM4CKDM5B
SCHEMBL20002543 0.79 METAP2 (0.37) IDO1TDO2ACACB
SCHEMBL20042273 0.78 TDO2 (0.41) IDO1TDO2
SCHEMBL20001912 0.72 IDO1 (0.36) IDO1TDO2ACACB
SCHEMBL20002074 0.72 TDO2 (0.38) TDO2
SCHEMBL20002073 0.70 TDO2 (0.39) TDO2
SCHEMBL20001777 0.70 NOS1 (0.38) MAPTIDO1TDO2KDM5AKDM4C
SCHEMBL20002555 0.70 TDO2 (0.36) TDO2
SCHEMBL20001778 0.69 TDO2 (0.37) TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
WO-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 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 (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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 GLA 1120/4885TSHR 824/4885ALOX12 241/4885

“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.