SCHEMBL21784093

SCHEMBL21784093

CCCCCCC(CC)c1cnc(CC)nc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.45
SLC2A1 P11166 1/20 0.33
LMNA P02545 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 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
SCHEMBL21783887 0.85 ESR1 (0.31)
SCHEMBL24804934 0.80 NR1I2 (0.43) NR1I2SLC2A1
SCHEMBL19464598 0.80 NR1I2 (0.43) NR1I2SLC2A1
SCHEMBL22222931 0.79 NR1I2 (0.47) NR1I2SLC2A1LMNAADH1BADH1C
SCHEMBL25150547 0.77 NR1I2 (0.50) NR1I2SLC2A1LMNA
SCHEMBL19965689 0.77 NR1I2 (0.38) NR1I2SLC2A1LMNA
SCHEMBL20940191 0.76 NR1I2 (0.49) NR1I2SLC2A1
SCHEMBL20372957 0.76 NR1I2 (0.49) NR1I2SLC2A1
SCHEMBL19464626 0.75 NR1I2 (0.37) NR1I2SLC2A1LMNA
SCHEMBL19231993 0.73 NR1I2 (0.47) NR1I2SLC2A1

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-10959986-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-30 US disclosed
US-20200069646-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB CO (US) 2020-03-05 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 (2 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-10959986-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT NR1I2 2861/4885SLC2A1 1896/4885LMNA 4317/4885
US-20200069646-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT NR1I2 2861/4885SLC2A1 1896/4885LMNA 4317/4885

“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.