SCHEMBL2996977

SCHEMBL2996977

O=C(/C=C/c1ccccc1)NNC(=O)c1ccncc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
L3MBTL1 Q9Y468 2/20 0.67
KDM4E B2RXH2 2/20 0.57
POLB P06746 1/20 0.56
LMNA P02545 1/20 0.56
PLK1 P53350 1/20 0.55
CA1 P00915 1/20 0.55
GAA P10253 1/20 0.55
CA9 Q16790 1/20 0.55
USP2 O75604 1/20 0.55
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HPGD P15428 1/20 0.52
NPC1 O15118 2/20 0.50

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
SCHEMBL2996981 1.00 ALDH1A1 (0.72) ALDH1A1CYP2C9CYP2C19L3MBTL1KDM4E
SCHEMBL2998871 0.88 ALDH1A1 (0.58) ALDH1A1CYP2C9CYP2C19L3MBTL1KDM4E
SCHEMBL2998874 0.88 ALDH1A1 (0.58) ALDH1A1CYP2C9CYP2C19L3MBTL1KDM4E
SCHEMBL8562018 0.86 NPC1 (0.57) ALDH1A1CYP2C9CYP2C19L3MBTL1KDM4E
SCHEMBL11704382 0.84 ALDH1A1 (0.63) ALDH1A1CYP2C9CYP2C19KDM4EPOLB
SCHEMBL11704385 0.84 ALDH1A1 (0.63) ALDH1A1CYP2C9CYP2C19KDM4EPOLB
SCHEMBL13381498 0.84 CYP2C9 (1.00) ALDH1A1CYP2C9CYP2C19KDM4EPOLB
SCHEMBL11704209 0.82 HDAC3 (0.76) ALDH1A1CYP2C9CYP2C19KDM4ELMNA
SCHEMBL11704206 0.82 HDAC3 (0.76) ALDH1A1CYP2C9CYP2C19KDM4ELMNA
SCHEMBL28052691 0.81 ALDH1A1 (0.63) ALDH1A1CYP2C9CYP2C19KDM4EPOLB

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 302/4885CYP2C9 242/4885CYP2C19 487/4885

“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.