SCHEMBL2994181

SCHEMBL2994181

CC[C@@H](C)C(C)=NNC(=O)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.51
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
CYP3A4 P08684 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL2991438 1.00 GAA (0.51) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL2991435 1.00 GAA (0.51) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL2994180 1.00 GAA (0.51) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL2998192 0.84 GAA (0.56) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL2998191 0.84 GAA (0.56) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL2991662 0.78 KDM4E (0.60) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL6635773 0.78 KDM4E (0.60) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL2991665 0.78 KDM4E (0.60) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL2988134 0.78 KDM4E (0.52) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL2995777 0.78 KDM4E (0.56) GAAALDH1A1MAPTKDM4EKMT2A

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 3745/4885ALDH1A1 302/4885MAPT 2862/4885

“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.