SCHEMBL16062205

SCHEMBL16062205

Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CBr)sc3C)ccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.72
POLB P06746 2/20 0.72
MAFG O15525 1/20 0.72
HPGD P15428 1/20 0.72
NFE2L2 Q16236 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
ALDH1A1 P00352 7/20 0.65
MAPT P10636 6/20 0.65
GAA P10253 2/20 0.65
LMNA P02545 6/20 0.61
HTT P42858 4/20 0.61
NT5E P21589 1/20 0.61
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
NPSR1 Q6W5P4 1/20 0.53
USP2 O75604 1/20 0.53
NR2F2 P24468 1/20 0.51
NFKB1 P19838 1/20 0.47

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
SCHEMBL16085534 0.90 SMN1; SMN2 (0.79) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085548 0.89 ALDH1A1 (0.69) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085519 0.88 SMN1; SMN2 (0.68) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085400 0.88 SMN1; SMN2 (0.70) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085536 0.88 MEN1 (0.73) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085535 0.88 SMN1; SMN2 (0.81) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085502 0.88 SMN1; SMN2 (0.81) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16061908 0.88 SMN1; SMN2 (0.78) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085550 0.87 SMN1; SMN2 (0.66) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085549 0.87 SMN1; SMN2 (0.68) SMN1; SMN2POLBMAFGHPGDNFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046616-A1 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2016-02-18 US disclosed
WO-2014145642-A9 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-13 WO disclosed
WO-2014145642-A9 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-13 WO disclosed
WO-2014145642-A2 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 WO disclosed
WO-2014145642-A2 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 WO disclosed
US-8728631-B2 Dendrimer compound and organic luminescent device employing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-05-20 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 (1 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-20160046616-A1 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY NFE2L2, KEAP1, GSTK1 SMN1; SMN2 2617/4885POLB 932/4885MAFG 160/4885

“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.