SCHEMBL2261168

SCHEMBL2261168

O=C(NC1CCC1)c1cc(O)cc(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HPGD P15428 2/20 0.62
TP53 P04637 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
MCHR1 Q99705 3/20 0.57
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.51
SMYD3 Q9H7B4 1/20 0.48
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAOB P27338 1/20 0.46
SLC6A12 P48065 1/20 0.45
SLC6A13 Q9NSD5 1/20 0.45

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
SCHEMBL2260303 0.98 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL2260433 0.96 NPC1 (0.67) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL2261442 0.95 MCHR1 (0.59) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL2260449 0.81 NPC1 (0.57) NPC1RAB9AHPGDKMT2AERN1
SCHEMBL200711 0.79 ADORA1 (0.51) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL201497 0.79 ADORA1 (0.49) NPC1RAB9ASMN1; SMN2MCHR1KMT2A
SCHEMBL2261354 0.77 NPC1 (0.66) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL2262131 0.77 RAB9A (0.60) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL2260576 0.77 CHEK2 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL8037431 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDTP53

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-7989454-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-7989454-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-7989454-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
EP-2234995-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
US-20090253684-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-10-08 US disclosed
US-20090253684-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-10-08 US disclosed
US-20090253684-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-10-08 US disclosed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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-20090253684-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S NPC1 689/4885RAB9A 3108/4885SMN1; SMN2 4394/4885

“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.