SCHEMBL2997055

SCHEMBL2997055

C[C@@H]1C=C(NNC(=O)c2ccncc2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
PTGS2 P35354 1/20 0.50
ALDH1A1 P00352 3/20 0.47
GAA P10253 5/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 2/20 0.41
PREP P48147 1/20 0.40
FAP Q12884 1/20 0.40

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
SCHEMBL2993579 1.00 MAOA (0.50) MAOAMAOBPTGS2ALDH1A1GAA
SCHEMBL2999458 0.76 ALDH1A1 (0.47) MAOAMAOBPTGS2ALDH1A1GAA
SCHEMBL2994182 0.76 ALDH1A1 (0.55) MAOAMAOBPTGS2ALDH1A1GAA
SCHEMBL2993849 0.74 ALDH1A1 (0.53) MAOAMAOBPTGS2ALDH1A1GAA
SCHEMBL2989640 0.73 ALDH1A1 (0.51) MAOAMAOBPTGS2ALDH1A1GAA
SCHEMBL2989637 0.73 ALDH1A1 (0.51) MAOAMAOBPTGS2ALDH1A1GAA
SCHEMBL2989634 0.73 ALDH1A1 (0.51) MAOAMAOBPTGS2ALDH1A1GAA
SCHEMBL2993555 0.70 ALDH1A1 (0.55) MAOAMAOBPTGS2ALDH1A1GAA
SCHEMBL2992964 0.68 ALDH1A1 (1.00) MAOAMAOBPTGS2ALDH1A1GAA
Iproniazid SCHEMBL4153 0.68 MAOA (1.00) MAOAMAOBPTGS2ALDH1A1GAA

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 MAOA 1140/4885MAOB 975/4885PTGS2 430/4885

“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.