SCHEMBL2992234

SCHEMBL2992234

O=C(NNC1=NCCCCC1)c1ccncc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.76
ALDH1A1 P00352 5/20 0.67
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
F2 P00734 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL2989424 0.94 ALDH1A1 (0.71) HPGDALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL2989637 0.73 ALDH1A1 (0.51) HPGDALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL2989640 0.73 ALDH1A1 (0.51) HPGDALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL2989634 0.73 ALDH1A1 (0.51) HPGDALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL2861582 0.73 HPGD (0.67) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2993849 0.72 ALDH1A1 (0.53) HPGDALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL2992964 0.71 ALDH1A1 (1.00) HPGDALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL2992155 0.70 TP53 (0.60) HPGDALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL2994182 0.70 ALDH1A1 (0.55) HPGDALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL250413 0.66 PTGS2 (0.75) ALDH1A1SMN1; SMN2GAAKDM4EPTGS2

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 HPGD 83/4885ALDH1A1 302/4885NPC1 261/4885

“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.