SCHEMBL20002543

SCHEMBL20002543

OC1(c2cc(C(F)(F)F)cc3cn[nH]c23)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDE2A O00408 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL20042249 0.86 METAP2 (0.35) METAP2PDE2APSEN1PSEN2APH1B
SCHEMBL20001907 0.82 TDO2 (0.41) MEN1KMT2AIDO1TDO2
SCHEMBL20002539 0.79 GLA (0.33) ACACBIDO1TDO2
SCHEMBL20042273 0.77 TDO2 (0.41) IDO1TDO2
SCHEMBL20001920 0.74 IDO1 (0.36) METAP2ACACBACACATRPA1RPS6KB1
SCHEMBL20002074 0.72 TDO2 (0.38) MEN1KMT2ATDO2
SCHEMBL20042246 0.71 TDO2 (0.37) TDO2
SCHEMBL20002073 0.70 TDO2 (0.39) TDO2
SCHEMBL20002234 0.70 TDO2 (0.34) TDO2
SCHEMBL13961150 0.70 METAP2 (0.47) METAP2RXRARXRBRXRGTRPA1

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 METAP2 786/4885MEN1 1599/4885KMT2A 1727/4885

“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.