SCHEMBL2989451

SCHEMBL2989451

CC1=CC(I)=C/C(=C\NNC(=O)c2ccncc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.42
GAA P10253 4/20 0.40
PTGS2 P35354 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
LMNA P02545 1/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
NAAA Q02083 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2989452 1.00 ALDH1A1 (0.44) ALDH1A1TP53GAAPTGS2MAOA
SCHEMBL2984445 0.87 ALDH1A1 (0.46) ALDH1A1TP53GAAPTGS2MAOA
SCHEMBL2984442 0.87 ALDH1A1 (0.46) ALDH1A1TP53GAAPTGS2MAOA
SCHEMBL2989629 0.85 ALDH1A1 (0.44) ALDH1A1TP53GAAPTGS2MAOA
SCHEMBL2989626 0.85 ALDH1A1 (0.44) ALDH1A1TP53GAAPTGS2MAOA
SCHEMBL2993856 0.80 ALDH1A1 (0.50) ALDH1A1TP53GAAPTGS2MAOA
SCHEMBL2996972 0.80 ALDH1A1 (0.46) ALDH1A1TP53GAAPTGS2MAOA
SCHEMBL2996969 0.80 ALDH1A1 (0.46) ALDH1A1TP53GAAPTGS2MAOA
SCHEMBL2993583 0.79 ALDH1A1 (0.45) ALDH1A1TP53GAAPTGS2MAOA
SCHEMBL2993585 0.79 ALDH1A1 (0.45) ALDH1A1TP53GAAPTGS2MAOA

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 2283/4885GAA 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.