SCHEMBL2995747

SCHEMBL2995747

O=C(NNCc1ccccc1)c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.67
CA9 Q16790 2/20 0.67
TDP1 Q9NUW8 1/20 0.61
ROCK2 O75116 1/20 0.59
RPS6KA5 O75582 1/20 0.59
MAP4K4 O95819 1/20 0.59
PRKCG P05129 1/20 0.59
PRKACA P17612 1/20 0.59
RPS6KB1 P23443 1/20 0.59
MAPK1 P28482 1/20 0.59
AKT1 P31749 1/20 0.59
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
PRKX P51817 1/20 0.59
PRKCD Q05655 1/20 0.59
PRKG2 Q13237 1/20 0.59
ROCK1 Q13464 1/20 0.59
DYRK1A Q13627 1/20 0.59
PRKG1 Q13976 1/20 0.59
PKN2 Q16513 1/20 0.59

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
SCHEMBL9712633 0.93 NPC1 (0.61) CA1CA9TDP1ROCK2RPS6KA5
SCHEMBL27601024 0.88 NPC1 (0.71) ALDH1A1RAB9ANPC1HDAC3HDAC1
SCHEMBL2995407 0.84 RAB9A (0.72) CA1CA9TDP1ALDH1A1RAB9A
SCHEMBL2998613 0.84 L3MBTL1 (0.72) CA1CA9ALDH1A1RAB9ANPC1
Nialamide SCHEMBL49430 0.83 CA1 (0.62) CA1CA9TDP1ROCK2RPS6KA5
SCHEMBL1569194 0.83 ROCK2 (0.82) CA1CA9ROCK2RPS6KA5MAP4K4
SCHEMBL2998249 0.82 ROCK1 (0.52) CA1CA9TDP1ROCK2MAP4K4
Nialamide SCHEMBL7324704 0.82 CA1 (0.61) CA1CA9TDP1ROCK2RPS6KA5
SCHEMBL2994694 0.81 HDAC3 (0.70) CA1CA9TDP1ALDH1A1RAB9A
SCHEMBL26107357 0.80 HDAC3 (0.68) RAB9ANPC1HDAC3HDAC1HDAC2

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 CA1 2581/4885CA9 1325/4885TDP1 3641/4885

“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.