SCHEMBL3000231

SCHEMBL3000231

NC(=O)NNC(=O)c1ccncc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.83
CA1 P00915 3/20 0.75
CA9 Q16790 3/20 0.75
TP53 P04637 1/20 0.68
KDM4E B2RXH2 1/20 0.63
MPO P05164 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2A6 P11509 1/20 0.63
CYP2C19 P33261 1/20 0.63
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
PTGS2 P35354 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 3/20 0.55
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54

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 0.91 ALDH1A1 (1.00) ALDH1A1CA1CA9TP53KDM4E
SCHEMBL2998472 0.86 CA1 (1.00) ALDH1A1CA1CA9TP53KDM4E
SCHEMBL8729424 0.86 ALDH1A1 (0.73) ALDH1A1CA1CA9TP53KDM4E
SCHEMBL2988323 0.84 ALDH1A1 (0.86) ALDH1A1CA1CA9TP53KDM4E
SCHEMBL2986200 0.83 ALDH1A1 (0.83) ALDH1A1CA1CA9TP53CYP1A2
SCHEMBL25738324 0.83 ALDH1A1 (0.75) ALDH1A1CA1CA9TP53KDM4E
SCHEMBL9591675 0.83 KDM4E (0.63) ALDH1A1CA1CA9TP53KDM4E
SCHEMBL2998151 0.82 ALDH1A1 (0.73) ALDH1A1CA1CA9TP53KDM4E
SCHEMBL1415953 0.81 TP53 (1.00) ALDH1A1CA1CA9TP53KDM4E
SCHEMBL3935111 0.81 ALDH1A1 (0.79) ALDH1A1CA1CA9TP53KDM4E

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 302/4885CA1 2581/4885CA9 1325/4885

“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.