SCHEMBL21396584

SCHEMBL21396584

N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ncccc3c3cccnc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4D Q6B0I6 2/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ACHE P22303 1/20 0.30
PTGER4 P35408 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
SCHEMBL21396888 0.98 IDO1 (0.33) IDO1CYP11B2KDM4DRECQLSMN1; SMN2
SCHEMBL21396841 0.91 PTGDR2 (0.33) IDO1CYP11B2KDM4DSMN1; SMN2ELANE
SCHEMBL21396864 0.91 PTGDR2 (0.33) IDO1CYP11B2KDM4DSMN1; SMN2ELANE
SCHEMBL21397143 0.91 PTGDR2 (0.33) IDO1CYP11B2KDM4DSMN1; SMN2ELANE
SCHEMBL21396608 0.89 AKT1 (0.31)
SCHEMBL21397082 0.89 PTGDR2 (0.33) IDO1CYP11B2KDM4DSMN1; SMN2ELANE
SCHEMBL21396870 0.89 PTGDR2 (0.33) IDO1CYP11B2KDM4DSMN1; SMN2ELANE
SCHEMBL30322689 0.86 ALDH1A1 (0.37) CYP11B2HTR2AHTR2C
SCHEMBL21377928 0.86 ALDH1A1 (0.37) CYP11B2HTR2AHTR2C
SCHEMBL21378073 0.86 CYP11B2 (0.32) IDO1CYP11B2KDM4DRECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 US 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 IDO1 1569/4885CYP11B2 1221/4885KDM4D 3429/4885

“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.