SCHEMBL3200646

SCHEMBL3200646

O=C(NCCc1ccc(O)c(Br)c1)c1ccc(Br)o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.66
ALDH1A1 P00352 7/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 1/20 0.66
HRH3 Q9Y5N1 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 2/20 0.55
GLA P06280 1/20 0.54
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
ALPL P05186 1/20 0.52
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
PLK4 O00444 1/20 0.49
AURKA O14965 1/20 0.49
NUAK1 O60285 1/20 0.49

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
SCHEMBL3204160 0.82 HRH3 (0.71) HPGDALDH1A1NPC1RAB9AHRH3
SCHEMBL31337274 0.80 HPGD (1.00) HPGDALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL27944339 0.79 PLK4 (0.55) HPGDALDH1A1LMNAKMT2AALPL
SCHEMBL7155752 0.78 ALDH1A1 (0.76) HPGDALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL30983754 0.78 KDM4E (0.73) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL29210589 0.78 KDM4E (0.73) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3206922 0.76 HRH3 (0.61) HRH3LMNAPLK4AURKANUAK1
SCHEMBL3203607 0.76 HRH3 (0.61) HPGDALDH1A1NPC1RAB9AHRH3
SCHEMBL3201536 0.76 ALDH1A1 (0.83) HPGDALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL3193177 0.75 HRH3 (1.00) HPGDALDH1A1NPC1RAB9AHRH3

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-20100035929-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF VANDERBILT UNIVERSITY 2010-02-11 US disclosed
US-20100035929-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF VANDERBILT UNIVERSITY 2010-02-11 US disclosed
US-20100035929-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF VANDERBILT UNIVERSITY 2010-02-11 US disclosed
WO-2009152071-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF VANDERBILT UNIVERSITY (US) 2009-12-17 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-20100035929-A1 UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF HRH3, HRH4, HRH1 HPGD 800/4885ALDH1A1 1454/4885NPC1 462/4885

“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.