SCHEMBL19987514

SCHEMBL19987514

CCCCCCCC(CCCCCC)c1ncc(CC)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
STAT3 P40763 1/20 0.33
ATM Q13315 1/20 0.33
RARB P10826 1/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC2A1 P11166 1/20 0.32
CSNK1E P49674 1/20 0.32
DNM1 Q05193 1/20 0.31

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
SCHEMBL19231984 0.98 DNM1 (0.34) NR1I2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL23869534 0.93 NR1I2 (0.39) NR1I2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12193894 0.91 BDKRB2 (0.32) MAPTLMNAKDM4EMEN1ALDH1A1
SCHEMBL19987483 0.86 KDM4E (0.33) KDM4E
SCHEMBL21346764 0.81 NR1I2 (0.34) NR1I2MAPTLMNASLC2A1DNM1
SCHEMBL24805811 0.81 DEGS1 (0.39) NR1I2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL23869504 0.81 NR1I2 (0.34) NR1I2MAPTLMNASLC2A1DNM1
SCHEMBL19853062 0.80 DNM1 (0.34) NR1I2MAPTLMNASLC2A1DNM1
SCHEMBL27100721 0.80 DNM1 (0.34) NR1I2LMNASLC2A1DNM1
SCHEMBL23869526 0.79 CASP3 (0.37) NR1I2LMNAUSP2SLC2A1

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 1266/4885MAPT 3241/4885RAB9A 3832/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT NR1I2 1266/4885MAPT 3241/4885RAB9A 3832/4885

“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.