SCHEMBL18112205

SCHEMBL18112205

CC1(C)COB(c2ccc(N3C[C@@H]4C[C@H]3CN4Cc3ccccc3)c([N+](=O)[O-])c2)OC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
PARP1 P09874 1/20 0.35
HDAC1 Q13547 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
FAAH O00519 2/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCHR1 Q99705 1/20 0.31
RET P07949 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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 0.78 LMNA (0.39) IDO1HTTLMNAPARP1HDAC1
SCHEMBL18111982 0.78 LMNA (0.39) IDO1HTTLMNAPARP1HDAC1
SCHEMBL4513293 0.78 MAPK1 (0.41) HTTLMNAPARP1HDAC1JAK2
SCHEMBL7081533 0.72 PARP1 (0.57) LMNAPARP1HDAC1MAPTMAPK1
SCHEMBL18111704 0.71 TDP1 (0.43) HTTLMNAMAPTMAPK1PKM
SCHEMBL18111847 0.71 ALDH1A1 (0.48) HTTLMNAMAPTMAPK1RAB9A
SCHEMBL18110997 0.69 LMNA (0.37) IDO1HTTLMNAHDAC1MAPT
SCHEMBL18111155 0.69 PIK3CD (0.37) HTTLMNAMAPTMAPK1PKM
SCHEMBL18110813 0.69 CASP3 (0.37) MAPTCASP1CASP3CASP7CASP9
SCHEMBL18110815 0.69 CASP3 (0.37) MAPTCASP1CASP3CASP7CASP9

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 IDO1 1/4885HTT 1713/4885LMNA 4498/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT IDO1 1/4885HTT 1713/4885LMNA 4498/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT IDO1 1/4885HTT 3300/4885LMNA 4373/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT IDO1 1/4885HTT 3300/4885LMNA 4373/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT IDO1 1/4885HTT 3300/4885LMNA 4373/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT IDO1 1/4885HTT 1713/4885LMNA 4498/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT IDO1 1/4885HTT 3300/4885LMNA 4373/4885

“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.