SCHEMBL2998249

SCHEMBL2998249

O=C(NNCc1cccc(F)c1)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.52
KDM5A P29375 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ROCK2 O75116 7/20 0.49
CDC7 O00311 1/20 0.49
MAP4K4 O95819 1/20 0.49
PIM1 P11309 1/20 0.49
CDK2 P24941 1/20 0.49
GSK3B P49841 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NAMPT P43490 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
AURKA O14965 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 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
SCHEMBL1569176 0.86 L3MBTL1 (0.68) ROCK1L3MBTL1ROCK2MAP4K4GSK3B
SCHEMBL2998613 0.82 L3MBTL1 (0.72) L3MBTL1ALDH1A1NAMPTCA1CA9
SCHEMBL2995747 0.82 CA1 (0.67) ROCK1ROCK2MAP4K4GSK3BCLK4
SCHEMBL9712633 0.76 NPC1 (0.61) ROCK1ROCK2MAP4K4GSK3BCLK4
SCHEMBL25718877 0.76 ROCK2 (0.74) ROCK1ROCK2CDC7MAP4K4PIM1
SCHEMBL2988267 0.74 RAB9A (0.54) ROCK1L3MBTL1ROCK2CDC7MAP4K4
SCHEMBL20379195 0.73 NAMPT (0.80) NAMPT
SCHEMBL30927240 0.73 NAMPT (0.80) NAMPT
SCHEMBL3462286 0.72 HDAC2 (0.60) ALDH1A1NAMPTHDAC2KMT2A
SCHEMBL29489337 0.72 NPC1 (0.73) NAMPTKMT2A

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 ROCK1 2405/4885KDM5A 2718/4885KDM4C 614/4885

“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.