SCHEMBL2988292

SCHEMBL2988292

CCC(CC)=NNC(=O)c1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.63
MAPT P10636 4/20 0.63
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 4/20 0.52
GFER P55789 2/20 0.52
CYP3A4 P08684 2/20 0.52
MPO P05164 1/20 0.52
CYP1A2 P05177 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MTOR P42345 1/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 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
SCHEMBL2999232 0.87 GAA (0.60) GAAMAPTKDM4EALDH1A1GFER
SCHEMBL12443287 0.85 GAA (0.84) GAAMAPTKDM4EALDH1A1CYP3A4
SCHEMBL2991665 0.85 KDM4E (0.60) GAAMAPTKDM4EALDH1A1GFER
SCHEMBL2991662 0.85 KDM4E (0.60) GAAMAPTKDM4EALDH1A1GFER
SCHEMBL6635773 0.85 KDM4E (0.60) GAAMAPTKDM4EALDH1A1GFER
SCHEMBL13609334 0.82 ALDH1A1 (0.67) GAAMAPTKDM4EALDH1A1CYP3A4
SCHEMBL6055303 0.82 GAA (0.58) GAAMAPTKDM4EALDH1A1GFER
SCHEMBL2988134 0.81 KDM4E (0.52) GAAMAPTKDM4EALDH1A1GFER
SCHEMBL2988132 0.81 KDM4E (0.52) GAAMAPTKDM4EALDH1A1GFER
SCHEMBL2997492 0.80 GAA (0.62) GAAMAPTKDM4EALDH1A1GFER

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 3745/4885MAPT 2862/4885KDM4E 3169/4885

“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.