SCHEMBL2999669

SCHEMBL2999669

CC(NNC(=O)c1ccncc1)=C1C=CC=N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
ALDH1A1 P00352 2/20 0.56
CA1 P00915 3/20 0.46
CA9 Q16790 3/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 4/20 0.44
HPGD P15428 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL2999668 1.00 TP53 (0.57) TP53ALDH1A1CA1CA9MAOA
SCHEMBL2992964 0.75 ALDH1A1 (1.00) TP53ALDH1A1CA1CA9MAOA
SCHEMBL2992794 0.73 TP53 (0.57) TP53ALDH1A1CA1CA9MAOA
SCHEMBL2992791 0.73 TP53 (0.57) TP53ALDH1A1CA1CA9MAOA
SCHEMBL1415953 0.73 TP53 (1.00) TP53ALDH1A1CA1CA9MAOA
SCHEMBL2993893 0.73 TP53 (0.60) TP53ALDH1A1CA1CA9MAOA
SCHEMBL8729424 0.71 ALDH1A1 (0.73) TP53ALDH1A1CA1CA9MAOA
SCHEMBL3003231 0.71 ALDH1A1 (0.73) TP53ALDH1A1CA1CA9MAOA
SCHEMBL12686908 0.71 ALDH1A1 (0.73) TP53ALDH1A1CA1CA9MAOA
SCHEMBL2998362 0.71 ALDH1A1 (0.51) TP53ALDH1A1CA1CA9MAOA

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 TP53 2283/4885ALDH1A1 302/4885CA1 2581/4885

“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.