SCHEMBL2833544

SCHEMBL2833544

NNC(=O)c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.69
ROCK1 Q13464 1/20 0.69
NAMPT P43490 4/20 0.68
RAB9A P51151 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
NPC1 O15118 4/20 0.68
LMNA P02545 1/20 0.67
HIF1A Q16665 1/20 0.67
NPSR1 Q6W5P4 2/20 0.64
MAPT P10636 1/20 0.64
GFER P55789 1/20 0.64
TP53 P04637 2/20 0.63
GAA P10253 1/20 0.63
KCNK3 O14649 1/20 0.62
CYP3A4 P08684 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 1/20 0.61
CYP2C9 P11712 1/20 0.61
MAPK1 P28482 1/20 0.60
MEN1 O00255 1/20 0.60

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
Nicotinic Acid Hydrazide SCHEMBL29648965 0.87 HDAC1 (0.69) ROCK2ROCK1RAB9ASMN1; SMN2NPC1
Nicotinic Acid Hydrazide SCHEMBL258390 0.87 HDAC1 (0.69) ROCK2ROCK1RAB9ASMN1; SMN2NPC1
SCHEMBL3093627 0.86 ROCK2 (0.71) ROCK2ROCK1NAMPTRAB9ASMN1; SMN2
SCHEMBL29596226 0.86 ROCK2 (0.71) ROCK2ROCK1NAMPTRAB9ASMN1; SMN2
Nicotinic Acid Hydrazide SCHEMBL28747918 0.85 HDAC1 (0.67) ROCK2ROCK1RAB9ASMN1; SMN2NPC1
Nicotinic Acid Hydrazide SCHEMBL31491467 0.85 HDAC1 (0.67) ROCK2ROCK1RAB9ASMN1; SMN2NPC1
SCHEMBL22983024 0.85 ROCK2 (0.69) ROCK2ROCK1NAMPTRAB9ASMN1; SMN2
SCHEMBL7329481 0.84 ROCK2 (0.73) ROCK2ROCK1NAMPTRAB9ASMN1; SMN2
SCHEMBL3093633 0.84 CYP3A4 (0.82) ROCK2ROCK1NAMPTRAB9ASMN1; SMN2
SCHEMBL21391312 0.83 ROCK2 (0.71) ROCK2ROCK1NAMPTRAB9ASMN1; SMN2

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-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2010-07-01 US disclosed
EP-1439834-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-07-28 EP disclosed
WO-2003037328-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-05-08 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-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 ROCK2 2548/4885ROCK1 1317/4885NAMPT 1926/4885

“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.