SCHEMBL18111982

SCHEMBL18111982

O=[N+]([O-])c1cc(Br)ccc1N1C[C@@H]2C[C@H]1CN2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
BRD4 O60885 1/20 0.39
ACHE P22303 1/20 0.38
PARP1 P09874 1/20 0.38
HDAC1 Q13547 1/20 0.37
IDO1 P14902 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ALDH2 P05091 1/20 0.36
ALDH3A1 P30838 1/20 0.36
MAPK1 P28482 3/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SIGMAR1 Q99720 4/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 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
SCHEMBL16371471 1.00 LMNA (0.39) LMNAHTTBRD4ACHEPARP1
SCHEMBL4513293 0.86 MAPK1 (0.41) LMNAHTTPARP1HDAC1L3MBTL1
SCHEMBL16370740 0.81 HDAC1 (0.44) LMNABRD4HDAC1IDO1ALDH1A1
SCHEMBL7081533 0.78 PARP1 (0.57) LMNAACHEPARP1HDAC1ALDH1A1
SCHEMBL18112205 0.78 IDO1 (0.35) LMNAHTTPARP1HDAC1IDO1
SCHEMBL18110997 0.76 LMNA (0.37) LMNAHTTHDAC1IDO1ALDH1A1
SCHEMBL16371535 0.75 CHRNB2 (0.49) LMNA
SCHEMBL5495641 0.75 MCHR1 (0.46) LMNAACHEL3MBTL1ALDH1A1KDM4E
SCHEMBL5495222 0.71 SIGMAR1 (0.42) HDAC1IDO1SIGMAR1MAPT
SCHEMBL4506882 0.70 HDAC1 (0.51) HDAC1IDO1SIGMAR1MAPT

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 LMNA 4498/4885HTT 1713/4885BRD4 427/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT LMNA 4498/4885HTT 1713/4885BRD4 427/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT LMNA 4373/4885HTT 3300/4885BRD4 608/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT LMNA 4373/4885HTT 3300/4885BRD4 608/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT LMNA 4373/4885HTT 3300/4885BRD4 608/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT LMNA 4498/4885HTT 1713/4885BRD4 427/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT LMNA 4373/4885HTT 3300/4885BRD4 608/4885

“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.