SCHEMBL18112253

SCHEMBL18112253

CC(C)[C@@H]1COCCN1c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 4/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTSB P07858 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL18111515 1.00 MAPT (0.40) MAPTKDM4EL3MBTL1LMNAMAPK1
SCHEMBL18111514 1.00 MAPT (0.40) MAPTKDM4EL3MBTL1LMNAMAPK1
SCHEMBL18112087 0.81 MAPT (0.40) MAPTKDM4EL3MBTL1LMNAMAPK1
SCHEMBL24190709 0.81 KMT2A (0.43) MAPTKDM4ELMNAMAPK1TDP1
SCHEMBL30660971 0.81 KMT2A (0.43) MAPTKDM4ELMNAMAPK1TDP1
SCHEMBL18110602 0.79 MAPT (0.35) MAPTKDM4EL3MBTL1LMNAMAPK1
SCHEMBL18110604 0.79 MAPT (0.35) MAPTKDM4EL3MBTL1LMNAMAPK1
SCHEMBL18111525 0.79 MAPT (0.35) MAPTKDM4EL3MBTL1LMNAMAPK1
SCHEMBL18111128 0.77 HPGD (0.38) MAPTKDM4EPOLBALDH1A1MEN1
SCHEMBL18111127 0.77 HPGD (0.38) MAPTKDM4EPOLBALDH1A1MEN1

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 8 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-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 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 (7 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 MAPT 1988/4885KDM4E 272/4885L3MBTL1 3687/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT MAPT 1988/4885KDM4E 272/4885L3MBTL1 3687/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MAPT 3241/4885KDM4E 375/4885L3MBTL1 4405/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT MAPT 3241/4885KDM4E 375/4885L3MBTL1 4405/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MAPT 3241/4885KDM4E 375/4885L3MBTL1 4405/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT MAPT 1988/4885KDM4E 272/4885L3MBTL1 3687/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT MAPT 3241/4885KDM4E 375/4885L3MBTL1 4405/4885

“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.