SCHEMBL3003231

SCHEMBL3003231

CC(=S)NNC(=O)c1ccncc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
TP53 P04637 1/20 0.72
CA1 P00915 5/20 0.68
CA9 Q16790 5/20 0.68
GAA P10253 7/20 0.63
POLB P06746 1/20 0.63
HPGD P15428 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HTT P42858 1/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
LMNA P02545 1/20 0.59
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
PTGS2 P35354 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL2992964 0.85 ALDH1A1 (1.00) ALDH1A1TP53CA1CA9GAA
SCHEMBL1415953 0.84 TP53 (1.00) ALDH1A1TP53CA1CA9GAA
SCHEMBL2477798 0.81 GAA (0.69) ALDH1A1TP53CA1CA9GAA
SCHEMBL12686908 0.81 ALDH1A1 (0.73) ALDH1A1TP53CA1CA9GAA
SCHEMBL2998472 0.81 CA1 (1.00) ALDH1A1TP53CA1CA9GAA
SCHEMBL2988075 0.81 ALDH1A1 (0.73) ALDH1A1TP53CA1CA9GAA
SCHEMBL3002823 0.80 ALDH1A1 (0.66) ALDH1A1TP53CA1CA9GAA
SCHEMBL2988323 0.79 ALDH1A1 (0.86) ALDH1A1TP53CA1CA9GAA
Potassium Ion SCHEMBL4872287 0.79 ALDH1A1 (0.70) ALDH1A1TP53CA1CA9GAA
SCHEMBL13381492 0.78 ALDH1A1 (0.76) ALDH1A1TP53CA1CA9GAA

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 2283/4885CA1 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.