SCHEMBL610837

SCHEMBL610837

C#CCN(C)Cc1ccc(C(=O)NO)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 13/20 0.72
MAOB P27338 2/20 0.59
HDAC6 Q9UBN7 5/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC8 Q9BY41 2/20 0.59
ACHE P22303 1/20 0.55
LMNA P02545 2/20 0.54
USP2 O75604 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
MAOA P21397 1/20 0.54
ALDH1A1 P00352 1/20 0.53
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL27391448 0.88 PYCR1 (0.72) PYCR1MAOBHDAC6HDAC1HDAC8
SCHEMBL10033801 0.83 PYCR1 (0.79) PYCR1MAOBACHELMNAUSP2
SCHEMBL28696676 0.81 HDAC6 (0.60) PYCR1HDAC6HDAC1HDAC8
SCHEMBL28690762 0.79 HDAC1 (0.61) PYCR1HDAC6HDAC1HDAC8
SCHEMBL610818 0.78 PYCR1 (0.60) PYCR1MAOBHDAC6HDAC1HDAC8
SCHEMBL28697641 0.78 HDAC6 (0.56) PYCR1HDAC6HDAC1HDAC8
SCHEMBL28690802 0.78 HDAC6 (0.56) PYCR1HDAC6HDAC1HDAC8
SCHEMBL13261470 0.78 HDAC6 (0.64) HDAC6HDAC1HDAC8
SCHEMBL28699833 0.78 CA1 (0.59) PYCR1MAOBHDAC6HDAC1HDAC8
SCHEMBL611531 0.77 MAOB (0.59) MAOBHDAC6HDAC1HDAC8ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 US disclosed
WO-2010086860-A2 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-08-05 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-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM GSR, GRIN1, GRIN2A PYCR1 426/4885MAOB 12/4885HDAC6 340/4885

“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.