SCHEMBL18111155

SCHEMBL18111155

CC1(C)COB(c2ccc(N3CCOc4ccccc43)c([N+](=O)[O-])c2)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3CA P42336 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 7/20 0.36
MAPT P10636 5/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 3/20 0.34
GAA P10253 2/20 0.34
GRM1 Q13255 1/20 0.34
NOTUM Q6P988 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NUDT1 P36639 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RY1 P47900 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL18111275 0.76 LMNA (0.41) PIK3CDPIK3CBPIK3CGPIK3CAMEN1
SCHEMBL18111704 0.74 TDP1 (0.43) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL18110602 0.73 MAPT (0.35) ALDH1A1MAPTPKMMAPK1GAA
SCHEMBL18111525 0.73 MAPT (0.35) ALDH1A1MAPTPKMMAPK1GAA
SCHEMBL18110604 0.73 MAPT (0.35) ALDH1A1MAPTPKMMAPK1GAA
SCHEMBL2658838 0.72 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL18111847 0.72 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1GAAL3MBTL1
SCHEMBL5259857 0.71 MAPT (0.48) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL18111075 0.69 LMNA (0.37) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL18111078 0.69 LMNA (0.37) MEN1KMT2AALDH1A1MAPTGAA

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 PIK3CD 965/4885PIK3CB 737/4885PIK3CG 1056/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT PIK3CD 965/4885PIK3CB 737/4885PIK3CG 1056/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT PIK3CD 2016/4885PIK3CB 1532/4885PIK3CG 2071/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT PIK3CD 2016/4885PIK3CB 1532/4885PIK3CG 2071/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT PIK3CD 2016/4885PIK3CB 1532/4885PIK3CG 2071/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT PIK3CD 965/4885PIK3CB 737/4885PIK3CG 1056/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT PIK3CD 2016/4885PIK3CB 1532/4885PIK3CG 2071/4885

“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.