SCHEMBL1161591

SCHEMBL1161591

Cn1c(=O)oc2ccc(CBr)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
KCNJ1 P48048 2/20 0.42
IDO1 P14902 2/20 0.42
KMT2A Q03164 3/20 0.40
MIF P14174 3/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CD74 P04233 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL29490178 1.00 DDB1 (0.46) DDB1CRBNKCNJ1IDO1KMT2A
SCHEMBL1161574 0.87 PKM (0.49) KMT2AMAPK1HSD17B10KDM4EALDH1A1
SCHEMBL8218368 0.85 MIF (0.53) DDB1CRBNKCNJ1IDO1KMT2A
SCHEMBL8252252 0.83 CA12 (0.46) DDB1CRBNKCNJ1IDO1KMT2A
SCHEMBL30630697 0.83 CA12 (0.46) DDB1CRBNKCNJ1IDO1KMT2A
SCHEMBL14470060 0.83 DDB1 (0.40) DDB1CRBNKCNJ1IDO1KMT2A
SCHEMBL8139447 0.82 DDB1 (0.42) DDB1CRBNKCNJ1IDO1KMT2A
SCHEMBL8190046 0.81 DDB1 (0.41) DDB1CRBNKCNJ1IDO1KMT2A
SCHEMBL8184720 0.80 IDH1 (0.43) DDB1CRBNKCNJ1IDO1KMT2A
SCHEMBL16413549 0.80 ALDH1A1 (0.54) DDB1CRBNIDO1KMT2AMIF

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 WO disclosed
US-8569282-B2 Carboxamide compounds and their use CYTOPATHFINDER, INC. (JP) 2013-10-29 US disclosed
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 WO disclosed
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 WO disclosed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
US-20100324035-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-23 US disclosed
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 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 (2 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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 DDB1 2908/4885CRBN 2475/4885KCNJ1 4674/4885
US-20100324035-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 DDB1 3105/4885CRBN 2525/4885KCNJ1 4520/4885

“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.