SCHEMBL3621628

SCHEMBL3621628

O=C(NCCc1ccccc1)c1c(O)cc(O)cc1COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SYK P43405 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
SLC5A1 P13866 1/20 0.48
SLC5A2 P31639 1/20 0.48
BCL2 P10415 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
BCL2A1 Q16548 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44

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
SCHEMBL3624720 0.87 TSHR (0.48) NPC1RAB9ASYKGAAMAPT
SCHEMBL3618598 0.82 SGMS2 (0.46) NPC1RAB9AGAAMAPTSLC5A1
SCHEMBL23992377 0.81 PTGES (0.50) TAAR1NPC1RAB9ASYKGAA
SCHEMBL3619586 0.79 LMNA (0.51) GAAMAPTSLC5A1SLC5A2L3MBTL1
SCHEMBL21332776 0.77 PLAAT3 (0.55) TAAR1NPC1RAB9AGAAMAPT
SCHEMBL21332568 0.72 MAPT (0.64) TAAR1NPC1RAB9ASYKGAA
SCHEMBL29057706 0.69 PTPN1 (0.63) GAAMAPTSLC5A1SLC5A2BCL2L1
SCHEMBL9218086 0.69 SLC5A1 (0.61) NPC1RAB9AGAAMAPTSLC5A1
SCHEMBL17117361 0.69 ESR1 (0.56) TAAR1MAPTSMN1; SMN2HDAC2HDAC8
SCHEMBL21332480 0.69 ESRRG (0.53) NPC1RAB9AGAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781485-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-24 US disclosed
US-20070265268-A1 Hsp90 Family protein Inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-11-15 US disclosed
EP-1813270-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-08-01 EP 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-20070265268-A1 Hsp90 Family protein Inhibitors HSPA4L, HSP90AB1, HSP90B1 TAAR1 3441/4885NPC1 1764/4885RAB9A 2369/4885

“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.