SCHEMBL16095871

SCHEMBL16095871

CC(C)CN(CC(C)C)c1ccc(C=CC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
ALDH1A1 P00352 6/20 0.56
NPSR1 Q6W5P4 3/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
ALOX12 P18054 1/20 0.55
MAPK1 P28482 4/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
IDO1 P14902 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH3A1 P30838 2/20 0.49
PLA2G4A P47712 1/20 0.46

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
SCHEMBL16095873 1.00 MAPT (0.56) MAPTALDH1A1NPSR1HTTHPGD
SCHEMBL16095870 1.00 MAPT (0.56) MAPTALDH1A1NPSR1HTTHPGD
SCHEMBL16095334 0.82 MAPT (0.55) MAPTALDH1A1NPSR1HTTHPGD
SCHEMBL16095339 0.82 MAPT (0.55) MAPTALDH1A1NPSR1HTTHPGD
SCHEMBL16095336 0.82 MAPT (0.55) MAPTALDH1A1NPSR1HTTHPGD
SCHEMBL16096152 0.82 ALDH3A1 (0.72) MAPTALDH1A1NPSR1HTTHPGD
SCHEMBL6496803 0.82 MAPT (0.74) MAPTALDH1A1NPSR1HTTHPGD
SCHEMBL6496805 0.82 MAPT (0.74) MAPTALDH1A1NPSR1HTTHPGD
SCHEMBL20301618 0.82 ALDH1A1 (0.45) MAPTALDH1A1NPSR1HTTHPGD
SCHEMBL18670318 0.82 ALDH1A1 (0.45) MAPTALDH1A1NPSR1HTTHPGD

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 19 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-10399933-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
EP-2970155-B1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) BRISTOL MYERS SQUIBB CO (US) 2018-04-25 EP 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
EP-3277671-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
EP-3277672-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
EP-3277670-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP 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-9675571-B2 Inhibitors of indoleamine 2,3-dioxygenase (IDO) BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-13 US disclosed
WO-2016161279-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161269-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161286-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 US disclosed
US-20160022619-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) BRISTOL-MYERS SQUIBB COMPANY 2016-01-28 US disclosed
EP-2970155-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
WO-2014150677-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-25 WO 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 (8 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 1988/4885ALDH1A1 707/4885NPSR1 3022/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT MAPT 1988/4885ALDH1A1 707/4885NPSR1 3022/4885
US-20160022619-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT MAPT 1886/4885ALDH1A1 956/4885NPSR1 1605/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MAPT 3241/4885ALDH1A1 263/4885NPSR1 1599/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT MAPT 3241/4885ALDH1A1 263/4885NPSR1 1599/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MAPT 3241/4885ALDH1A1 263/4885NPSR1 1599/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT MAPT 1988/4885ALDH1A1 707/4885NPSR1 3022/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT MAPT 3241/4885ALDH1A1 263/4885NPSR1 1599/4885

“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.