SCHEMBL2989424

SCHEMBL2989424

O=C(NNC1=NCCC1)c1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
HPGD P15428 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 1/20 0.50
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
PTGS2 P35354 1/20 0.49
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL2992234 0.94 HPGD (0.76) ALDH1A1HPGDSMN1; SMN2MAPTMAOA
SCHEMBL2992964 0.73 ALDH1A1 (1.00) ALDH1A1HPGDSMN1; SMN2MAOAMAOB
SCHEMBL2994182 0.72 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2MAPTMAOA
SCHEMBL2993849 0.71 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2MAPTMAOA
SCHEMBL2989637 0.70 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2MAPTMAOA
SCHEMBL2989640 0.70 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2MAPTMAOA
SCHEMBL2989634 0.70 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2MAPTMAOA
SCHEMBL31642836 0.68 HTT (0.57) ALDH1A1HPGDSMN1; SMN2HTTGAA
SCHEMBL250413 0.68 PTGS2 (0.75) ALDH1A1SMN1; SMN2HTTPTGS2GAA
SCHEMBL2988323 0.68 ALDH1A1 (0.86) ALDH1A1HPGDSMN1; SMN2MAOAMAOB

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 302/4885HPGD 83/4885SMN1; SMN2 4448/4885

“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.