SCHEMBL2595478

SCHEMBL2595478

COc1cc(CCBr)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.40
CYP2D6 P10635 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NQO2 P16083 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 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
SCHEMBL9280470 0.88 TDP1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL14965715 0.85 TAAR1 (0.54) ALDH1A1MAPTLMNACYP2D6L3MBTL1
SCHEMBL2596015 0.85 CHEK1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL19175434 0.82 LMNA (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL16099862 0.82 TDP1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL2589897 0.82 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL14971342 0.81 CTSD (0.39) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL10983166 0.79 LMNA (0.51) ALDH1A1MAPTLMNAL3MBTL1TDP1
SCHEMBL16117975 0.78 LMNA (0.46) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL19180992 0.78 RAB9A (0.46) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 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 (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-20130065900-A1 PHARMACEUTICAL COMPOUNDS CSNK1A1, FRK, CSNK1E SMN1; SMN2 3053/4885NPC1 595/4885RAB9A 1418/4885

“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.