SCHEMBL19987475

SCHEMBL19987475

CCCCCCCC(CC)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.59
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 3/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
SLC2A1 P11166 1/20 0.38

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
SCHEMBL20083457 0.92 NR1I2 (0.50) NR1I2SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL22857489 0.92 NR1I2 (0.50) NR1I2SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL19478566 0.91 NR1I2 (0.49) NR1I2SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL23169070 0.87 SLC6A2 (0.46) NR1I2SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL16668621 0.87 NR1I2 (0.61) NR1I2SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL9139072 0.87 NR1I2 (0.61) NR1I2SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL11861186 0.86 NR1I2 (0.45) NR1I2SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL24597837 0.84 ESR1 (0.44) NR1I2SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL24597751 0.84 ESR1 (0.44) NR1I2SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL19987462 0.84 ESR1 (0.44) NR1I2SLC6A2SLC6A4SLC6A3SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT NR1I2 1266/4885SLC6A2 1080/4885SLC6A4 874/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT NR1I2 1266/4885SLC6A2 1080/4885SLC6A4 874/4885

“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.