SCHEMBL761573

SCHEMBL761573

COc1ccc(-c2coc3cc(OCCCCCCN4CCNCC4)ccc3c2=O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.68
NPC1 O15118 2/20 0.60
MAPT P10636 2/20 0.60
RAB9A P51151 2/20 0.60
XDH P47989 1/20 0.53
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH2 P05091 4/20 0.52

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
SCHEMBL738767 0.91 HRH3 (0.81) HRH3NPC1MAPTRAB9APDK1
SCHEMBL737431 0.91 HRH3 (0.81) HRH3PDK1PDK2ALDH2
SCHEMBL25225774 0.85 PDK1 (0.72) HRH3XDHPDK1PDK2ALDH2
SCHEMBL25651979 0.85 HRH3 (0.73) HRH3NPC1MAPTRAB9AXDH
SCHEMBL4102574 0.83 NPC1 (0.58) HRH3NPC1MAPTRAB9AXDH
SCHEMBL738943 0.82 ALDH2 (0.71) HRH3NPC1MAPTRAB9AKDM4E
SCHEMBL28897121 0.81 HRH3 (0.64) HRH3NPC1MAPTRAB9APDK1
SCHEMBL11560028 0.80 MAPT (0.77) HRH3NPC1MAPTRAB9AXDH
SCHEMBL25261593 0.79 HRH3 (0.66) HRH3XDHPDK1PDK2ALDH2
SCHEMBL25217032 0.79 PDK1 (0.80) HRH3XDHPDK1PDK2ALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138184-B2 Isoxazole derivatives and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-03-20 US disclosed
US-20090215768-A1 ISOXAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-08-27 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-20090215768-A1 ISOXAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME TBXA2R, F12, PTH1R HRH3 4/4885NPC1 3390/4885MAPT 4242/4885

“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.