SCHEMBL2999455

SCHEMBL2999455

C=CCC1=CC(=CNNC(=O)c2ccncc2)C=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 3/20 0.43
CA9 Q16790 3/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MPO P05164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PTGS2 P35354 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL2999448 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CA1CA9GAAALDH1A1
SCHEMBL2994734 0.79 ALDH1A1 (0.46) SMN1; SMN2CA1CA9GAAALDH1A1
SCHEMBL2986211 0.79 ALDH1A1 (0.46) SMN1; SMN2CA1CA9GAAALDH1A1
SCHEMBL2986212 0.79 ALDH1A1 (0.46) SMN1; SMN2CA1CA9GAAALDH1A1
SCHEMBL2995037 0.76 SMN1; SMN2 (0.42) SMN1; SMN2CA1CA9GAAALDH1A1
SCHEMBL2995042 0.76 SMN1; SMN2 (0.42) SMN1; SMN2CA1CA9GAAALDH1A1
SCHEMBL2999970 0.76 SMN1; SMN2 (0.42) SMN1; SMN2CA1CA9GAAALDH1A1
SCHEMBL3003227 0.76 ALDH1A1 (0.55) SMN1; SMN2CA1CA9GAAALDH1A1
SCHEMBL2992217 0.72 ALDH1A1 (0.46) SMN1; SMN2CA1CA9GAAALDH1A1
SCHEMBL2988301 0.72 ALDH1A1 (0.46) CA1CA9GAAALDH1A1TP53

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 SMN1; SMN2 4448/4885CA1 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.