SCHEMBL22387407

SCHEMBL22387407

O=C(O)C[C@]1(O)C[C@H]2C[C@@H](c3ccnc4ccc(F)cc34)C[C@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 19/20 0.45
CYP2C9 P11712 5/20 0.45
TDO2 P48775 7/20 0.42
CYP2C8 P10632 3/20 0.42
CHRNA1 P02708 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL22270972 0.88 IDO1 (0.47) IDO1CYP2C9TDO2CYP2C8CHRNA1
SCHEMBL22387405 0.86 IDO1 (0.45) IDO1CYP2C9TDO2CYP2C8CHRNA1
SCHEMBL22270710 0.86 IDO1 (0.45) IDO1CYP2C9TDO2CYP2C8CHRNA1
SCHEMBL22387361 0.85 IDO1 (0.45) IDO1CYP2C9TDO2CYP2C8CHRNA1
SCHEMBL21213986 0.84 IDO1 (0.50) IDO1CYP2C9TDO2CYP2C8CHRNA1
SCHEMBL22387406 0.83 IDO1 (0.57) IDO1CYP2C9TDO2CYP2C8CHRNA1
SCHEMBL22270633 0.83 IDO1 (0.42) IDO1CYP2C9TDO2CYP2C8CHRNA1
SCHEMBL22270964 0.82 IDO1 (0.44) IDO1CYP2C9TDO2CYP2C8CHRNA1
SCHEMBL22270420 0.81 IDO1 (0.47) IDO1CYP2C9TDO2CYP2C8CHRNA1
SCHEMBL22387372 0.81 IDO1 (0.47) IDO1CYP2C9TDO2CYP2C8CHRNA1

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-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR HANGZHOU INNOGATE PHARMA CO., LTD (CN) 2020-09-03 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-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR IDO1, HDAC1, HDAC2 IDO1 1/4885CYP2C9 3122/4885TDO2 49/4885

“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.