SCHEMBL2994741

SCHEMBL2994741

O=C(O)CCC(=O)NNC(=O)c1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.68
ALDH1A1 P00352 2/20 0.66
MAPT P10636 1/20 0.59
KMT2A Q03164 2/20 0.58
BCHE P06276 1/20 0.57
TP53 P04637 1/20 0.56
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 1/20 0.54
CA1 P00915 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL3001804 0.83 KMT2A (0.66) TDP1ALDH1A1KMT2ATP53GAA
SCHEMBL2992964 0.81 ALDH1A1 (1.00) ALDH1A1TP53CYP1A2CYP2C19GAA
SCHEMBL2996626 0.80 ALDH1A1 (0.61) TDP1ALDH1A1KMT2ATP53CA1
SCHEMBL2998860 0.80 ALDH1A1 (0.61) TDP1ALDH1A1KMT2ATP53CYP1A2
SCHEMBL3001940 0.80 GAA (0.65) TDP1ALDH1A1KMT2ATP53GAA
SCHEMBL7401272 0.79 HDAC3 (0.64) TDP1ALDH1A1TP53CYP1A2CYP2C9
SCHEMBL3001845 0.79 GAA (0.67) TDP1ALDH1A1KMT2ATP53GAA
Hydrochloric Acid SCHEMBL2992624 0.79 ALDH1A1 (0.59) TDP1ALDH1A1KMT2ATP53CYP1A2
SCHEMBL2997659 0.79 ALDH1A1 (0.70) TDP1ALDH1A1KMT2ATP53CYP1A2
SCHEMBL2998188 0.79 ALDH1A1 (0.70) TDP1ALDH1A1TP53CYP1A2CYP2C19

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 TDP1 3641/4885ALDH1A1 302/4885MAPT 2862/4885

“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.