SCHEMBL2993882

SCHEMBL2993882

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
TP53 P04637 1/20 0.68
HTT P42858 1/20 0.57
CA1 P00915 2/20 0.54
CA9 Q16790 2/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
PTGS2 P35354 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 3/20 0.51
HPGD P15428 3/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 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
SCHEMBL12686908 0.85 ALDH1A1 (0.73) ALDH1A1TP53HTTCA1CA9
SCHEMBL2993075 0.84 ALDH1A1 (0.70) ALDH1A1TP53HTTCA1CA9
SCHEMBL2992964 0.82 ALDH1A1 (1.00) ALDH1A1TP53CA1CA9MAOA
SCHEMBL1415953 0.81 TP53 (1.00) ALDH1A1TP53HTTCA1CA9
SCHEMBL3001579 0.79 ALDH1A1 (0.76) ALDH1A1TP53HTTCA1CA9
SCHEMBL2998884 0.79 TP53 (0.64) ALDH1A1TP53HTTCA1CA9
SCHEMBL3003231 0.78 ALDH1A1 (0.73) ALDH1A1TP53HTTCA1CA9
SCHEMBL3935111 0.77 ALDH1A1 (0.79) ALDH1A1TP53CA1CA9MAOA
SCHEMBL2988323 0.77 ALDH1A1 (0.86) ALDH1A1TP53CA1CA9MAOA
SCHEMBL2997224 0.76 ALDH1A1 (0.70) ALDH1A1TP53CA1CA9MAOA

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 2283/4885HTT 3833/4885

“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.