SCHEMBL2997026

SCHEMBL2997026

NC(=O)C(NC(=O)c1ccncc1)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ MPO P05164 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 1/20 0.41

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
SCHEMBL4664485 0.76 MAOA (0.54) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL8803477 0.76 MAOA (0.54) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL12320662 0.76 MAOA (0.54) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL18970073 0.73 HPGDS (0.55) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL10064613 0.73 HPGDS (0.55) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL4688813 0.73 ALDH1A1 (0.44) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL6030061 0.72 MAOA (0.58) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL1106938 0.71 MAOA (0.67) KDM4EMPOCYP1A2CYP3A4ADORA3
Isoniazid SCHEMBL28347508 0.71 KDM4E (0.88) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL16094230 0.71 ALDH1A1 (0.59) KDM4EMPOCYP1A2CYP3A4ADORA3

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 KDM4E 3169/4885MPO 582/4885CYP1A2 385/4885

“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.

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