SCHEMBL18112260

SCHEMBL18112260

CCC(CC(=O)OC)c1ccc(N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c(NC(=O)Nc2ccc(C)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.45
HDAC1 Q13547 1/20 0.38
KCNJ6 P48051 3/20 0.38
KCNJ3 P48549 3/20 0.38
KCNJ5 P48544 2/20 0.38
LTA4H P09960 1/20 0.37
LMNA P02545 4/20 0.36
TP53 P04637 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
NR1I2 O75469 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL18111130 0.93 IDO1 (0.48) IDO1HDAC1KCNJ6KCNJ3KCNJ5
SCHEMBL18110865 0.92 IDO1 (0.43) IDO1HDAC1LTA4HSMN1; SMN2JAK2
SCHEMBL18110995 0.84 IDO1 (0.47) IDO1HDAC1KCNJ6KCNJ3KCNJ5
SCHEMBL18111884 0.83 HDAC1 (0.42) IDO1HDAC1LTA4HJAK2JAK1
SCHEMBL18110997 0.80 LMNA (0.37) IDO1HDAC1LMNANPC1RAB9A
SCHEMBL18112731 0.77 IDO1 (0.42) IDO1HDAC1SMN1; SMN2JAK2JAK1
SCHEMBL18112096 0.77 IDO1 (0.43) IDO1LMNATP53MAPTALDH1A1
SCHEMBL18112202 0.76 MEN1 (0.45) IDO1LMNATP53SMN1; SMN2MAPT
SCHEMBL18112002 0.75 IDO1 (0.42) IDO1LMNATP53NPC1RAB9A
SCHEMBL18110704 0.75 IDO1 (0.42) IDO1LMNATP53NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
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-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 US disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 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 (6 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT IDO1 1/4885HDAC1 67/4885KCNJ6 4129/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT IDO1 1/4885HDAC1 67/4885KCNJ6 4129/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT IDO1 1/4885HDAC1 75/4885KCNJ6 3892/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT IDO1 1/4885HDAC1 75/4885KCNJ6 3892/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT IDO1 1/4885HDAC1 75/4885KCNJ6 3892/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT IDO1 1/4885HDAC1 67/4885KCNJ6 4129/4885

“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.