SCHEMBL2994182

SCHEMBL2994182

O=C(NNC1=CCCC1)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
PTGS2 P35354 1/20 0.49
TP53 P04637 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MPO P05164 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL2993849 0.95 ALDH1A1 (0.53) ALDH1A1MAPTMAOAMAOBPTGS2
SCHEMBL2989637 0.94 ALDH1A1 (0.51) ALDH1A1MAPTMAOAMAOBPTGS2
SCHEMBL2989634 0.94 ALDH1A1 (0.51) ALDH1A1MAPTMAOAMAOBPTGS2
SCHEMBL2989640 0.94 ALDH1A1 (0.51) ALDH1A1MAPTMAOAMAOBPTGS2
SCHEMBL12336002 0.84 PTGS2 (0.53) ALDH1A1MAPTPTGS2KDM4EGAA
SCHEMBL12336612 0.82 GAA (0.55) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL2997055 0.76 MAOA (0.50) ALDH1A1MAPTMAOAMAOBPTGS2
SCHEMBL2993579 0.76 MAOA (0.50) ALDH1A1MAPTMAOAMAOBPTGS2
SCHEMBL2988130 0.76 ALDH1A1 (0.47) ALDH1A1MAPTMAOAMAOBPTGS2
SCHEMBL2999458 0.76 ALDH1A1 (0.47) ALDH1A1MAPTMAOAMAOBPTGS2

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 302/4885MAPT 2862/4885MAOA 1140/4885

“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.