SCHEMBL980355

SCHEMBL980355

Cc1cccc(N(C2=COCO2)c2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 2/20 0.34
JAK2 O60674 1/20 0.34
HTT P42858 1/20 0.34
PAX8 Q06710 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
ACHE P22303 1/20 0.33
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HTR7 P34969 1/20 0.33
ICMT O60725 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 3/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL6250829 0.78 CSF1R (0.32)
SCHEMBL7434958 0.78 RAB9A (0.40) ALDH1A1RAB9ANPC1JAK2HTT
SCHEMBL6870036 0.77 ACHE (0.50) ALDH1A1RAB9ANPC1JAK2HTT
SCHEMBL883418 0.77 ACHE (0.50) ALDH1A1RAB9ANPC1JAK2HTT
Benzene SCHEMBL13561466 0.77 ACHE (0.50) ALDH1A1RAB9ANPC1JAK2HTT
SCHEMBL27706354 0.77 ACHE (0.50) ALDH1A1RAB9ANPC1JAK2HTT
SCHEMBL10065627 0.75 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1JAK2HTT
SCHEMBL13017732 0.75 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1JAK2HTT
SCHEMBL8765594 0.75 ACHE (0.48) ALDH1A1RAB9ANPC1JAK2HTT
SCHEMBL22812841 0.75 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1JAK2HTT

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-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 ALDH1A1 2806/4885RAB9A 3095/4885NPC1 2565/4885

“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.