SCHEMBL2996962

SCHEMBL2996962

CC(C)C(=NNC(=O)c1ccncc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
PTGS2 P35354 1/20 0.53
ALDH1A1 P00352 7/20 0.52
MAPT P10636 5/20 0.52
KDM4E B2RXH2 4/20 0.52
GFER P55789 2/20 0.52
CYP3A4 P08684 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 3/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL2998191 0.85 GAA (0.56) GAAMAOAMAOBPTGS2ALDH1A1
SCHEMBL2998192 0.85 GAA (0.56) GAAMAOAMAOBPTGS2ALDH1A1
SCHEMBL2988132 0.81 KDM4E (0.52) GAAMAOAMAOBPTGS2ALDH1A1
SCHEMBL2988134 0.81 KDM4E (0.52) GAAMAOAMAOBPTGS2ALDH1A1
SCHEMBL2997492 0.80 GAA (0.62) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL2988292 0.79 GAA (0.63) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL6055303 0.79 GAA (0.58) GAAMAOAMAOBPTGS2ALDH1A1
SCHEMBL2995779 0.78 KDM4E (0.56) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL2995777 0.78 KDM4E (0.56) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL2994123 0.77 GAA (0.61) GAAALDH1A1MAPTKDM4EGFER

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-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS BRIDGE BIORESEARCH RIGHTS (JERSEY) LIMITED (GB) 2010-07-22 US disclosed
EP-2068873-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS Pharma 2100 (DK) 2009-06-17 EP disclosed
WO-2008031440-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS PHARMA 2100 (DK) 2008-03-20 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-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS ODC1, OTC, ACACB GAA 3745/4885MAOA 1140/4885MAOB 975/4885

“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.