SCHEMBL2998853

SCHEMBL2998853

C=CNNC(=O)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.59
HDAC6 Q9UBN7 1/20 0.59
GAA P10253 5/20 0.58
FTO Q9C0B1 1/20 0.57
LMNA P02545 2/20 0.54
THRB P10828 1/20 0.54
HIF1A Q16665 1/20 0.54
KMT2A Q03164 2/20 0.54
CYP2C9 P11712 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP2C19 P33261 1/20 0.54
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
CYP3A4 P08684 1/20 0.52
ALPL P05186 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL10406166 0.85 HDAC1 (0.61) HDAC1HDAC6GAAFTOLMNA
SCHEMBL5361880 0.84 HDAC1 (0.74) HDAC1HDAC6GAAFTOLMNA
SCHEMBL155299 0.83 HDAC1 (0.62) HDAC1HDAC6GAAFTOLMNA
SCHEMBL5361922 0.79 GAA (0.77) HDAC1HDAC6GAAFTOLMNA
SCHEMBL1122412 0.78 HDAC1 (0.56) HDAC1HDAC6GAAFTOLMNA
SCHEMBL18136526 0.77 HDAC1 (0.65) HDAC1HDAC6GAAFTOLMNA
SCHEMBL1019295 0.77 HDAC1 (0.65) HDAC1HDAC6GAAFTOLMNA
SCHEMBL22341320 0.77 FTO (0.67) HDAC1HDAC6GAAFTOLMNA
SCHEMBL2988299 0.77 HDAC1 (0.65) HDAC1HDAC6GAAFTOLMNA
SCHEMBL13381471 0.77 ALDH1A1 (0.70) HDAC1HDAC6GAAFTOLMNA

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 HDAC1 144/4885HDAC6 1068/4885GAA 3745/4885

“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.