SCHEMBL2995030

SCHEMBL2995030

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
TP53 P04637 1/20 0.68
TDP1 Q9NUW8 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA1 P00915 2/20 0.55
CA9 Q16790 2/20 0.55
GAA P10253 1/20 0.55
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
PTGS2 P35354 1/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MPO P05164 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2A6 P11509 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 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
SCHEMBL2998188 0.84 ALDH1A1 (0.70) ALDH1A1TP53TDP1SMN1; SMN2CA1
SCHEMBL2997659 0.84 ALDH1A1 (0.70) ALDH1A1TP53TDP1SMN1; SMN2CA1
SCHEMBL2998884 0.83 TP53 (0.64) ALDH1A1TP53SMN1; SMN2CA1CA9
SCHEMBL2992964 0.82 ALDH1A1 (1.00) ALDH1A1TP53SMN1; SMN2CA1CA9
SCHEMBL9203017 0.81 NPC1 (0.55) ALDH1A1TDP1SMN1; SMN2GAAPTGS2
SCHEMBL1415953 0.81 TP53 (1.00) ALDH1A1TP53SMN1; SMN2CA1CA9
SCHEMBL3001804 0.81 KMT2A (0.66) ALDH1A1TP53TDP1SMN1; SMN2CA1
SCHEMBL3003256 0.80 ALDH1A1 (0.70) ALDH1A1TP53TDP1SMN1; SMN2CA1
SCHEMBL2996632 0.79 ALDH1A1 (0.63) ALDH1A1TP53TDP1SMN1; SMN2CA1
SCHEMBL3001940 0.78 GAA (0.65) ALDH1A1TP53TDP1CA1CA9

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 ALDH1A1 302/4885TP53 2283/4885TDP1 3641/4885

“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.