SCHEMBL2998521

SCHEMBL2998521

O=C(NNCCO)c1ccncc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.68
HDAC1 Q13547 1/20 0.68
HDAC2 Q92769 1/20 0.68
ALDH1A1 P00352 1/20 0.64
KDM4E B2RXH2 1/20 0.55
MPO P05164 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP2C19 P33261 1/20 0.55
TP53 P04637 1/20 0.55
CA1 P00915 2/20 0.51
CA9 Q16790 2/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
PTGS2 P35354 1/20 0.51
GAA P10253 3/20 0.49
HPGD P15428 2/20 0.47

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
SCHEMBL3001447 0.84 HDAC3 (0.81) HDAC3HDAC1HDAC2ALDH1A1KDM4E
Metazide SCHEMBL2109857 0.82 ALDH1A1 (0.72) HDAC3HDAC1HDAC2ALDH1A1KDM4E
SCHEMBL7401272 0.82 HDAC3 (0.64) HDAC3HDAC1HDAC2ALDH1A1KDM4E
SCHEMBL65822 0.81 RAB9A (0.62) HDAC2ALDH1A1KDM4EMPOCYP1A2
SCHEMBL17141675 0.81 HDAC3 (1.00) HDAC3HDAC1HDAC2ALDH1A1GAA
SCHEMBL2990093 0.80 HDAC3 (0.91) HDAC3HDAC1HDAC2ALDH1A1GAA
SCHEMBL6926470 0.80 HDAC3 (0.60) HDAC3HDAC1HDAC2ALDH1A1KDM4E
SCHEMBL2992964 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL2992612 0.79 HDAC3 (0.70) HDAC3HDAC1HDAC2ALDH1A1KDM4E
SCHEMBL2998122 0.78 HDAC3 (0.88) HDAC3HDAC1HDAC2GAANAAA

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 HDAC3 111/4885HDAC1 144/4885HDAC2 548/4885

“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.