SCHEMBL18112017

SCHEMBL18112017

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
ALDH1A1 P00352 8/20 0.58
MAPK1 P28482 6/20 0.58
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
HPGD P15428 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
TDP1 Q9NUW8 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
PLA2G4A P47712 1/20 0.48
HCAR3 P49019 1/20 0.44
ALDH3A1 P30838 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 2/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL18112016 1.00 MAPT (0.58) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL18112018 1.00 MAPT (0.58) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL6496805 0.87 MAPT (0.74) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL6496803 0.87 MAPT (0.74) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL18112346 0.86 SMN1; SMN2 (0.54) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL18112345 0.86 SMN1; SMN2 (0.54) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL18112874 0.81 MAPT (0.46) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL18112875 0.81 MAPT (0.46) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL18110635 0.81 ALDH3A1 (0.62) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL16095871 0.78 MAPT (0.56) MAPTALDH1A1MAPK1LMNASMN1; 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 14 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
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-3277671-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
WO-2016161286-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-2016161279-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

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 1988/4885ALDH1A1 707/4885MAPK1 1890/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT MAPT 1988/4885ALDH1A1 707/4885MAPK1 1890/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MAPT 3241/4885ALDH1A1 263/4885MAPK1 1658/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT MAPT 3241/4885ALDH1A1 263/4885MAPK1 1658/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MAPT 3241/4885ALDH1A1 263/4885MAPK1 1658/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT MAPT 1988/4885ALDH1A1 707/4885MAPK1 1890/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT MAPT 3241/4885ALDH1A1 263/4885MAPK1 1658/4885

“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.