SCHEMBL20001907

SCHEMBL20001907

OC1(c2cc(Cl)cc3cn[nH]c23)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.41
NOS1 P29475 3/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DYRK1A Q13627 1/20 0.33
PDE7A Q13946 2/20 0.32
IDO1 P14902 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PGR P06401 1/20 0.31
CHEK1 O14757 1/20 0.30
LIMK1 P53667 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
SCHEMBL20042273 0.95 TDO2 (0.41) TDO2NOS1DYRK1AIDO1
SCHEMBL20002074 0.89 TDO2 (0.38) TDO2NOS1MEN1KMT2A
SCHEMBL20002073 0.87 TDO2 (0.39) TDO2NOS1DYRK1A
SCHEMBL20002555 0.86 TDO2 (0.36) TDO2NOS1
SCHEMBL20001778 0.86 TDO2 (0.37) TDO2NOS1DYRK1A
SCHEMBL20043557 0.86 TDO2 (0.37) TDO2NOS1DYRK1A
SCHEMBL20042246 0.86 TDO2 (0.37) TDO2NOS1DYRK1A
SCHEMBL19995846 0.85 TDO2 (0.39) TDO2NOS1DYRK1A
SCHEMBL20001913 0.84 TDO2 (0.38) TDO2NOS1DYRK1A
SCHEMBL20002539 0.82 GLA (0.33) TDO2PDE7AIDO1KDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149011-B2 Compounds and methods for IDO and TDO modulation, and indications therefor PLEXXIKON INC. (US) 2021-10-19 US disclosed
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-10-03 US disclosed
WO-2019183145-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2019-09-26 WO disclosed
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 (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-11149011-B2 Compounds and methods for IDO and TDO modulation, and indications therefor IDO1, TDO2, IDO2 TDO2 2/4885NOS1 904/4885MEN1 1248/4885
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 TDO2 2/4885NOS1 817/4885MEN1 1599/4885
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 TDO2 2/4885NOS1 904/4885MEN1 1248/4885

“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.