SCHEMBL7110741

SCHEMBL7110741

NC(=NO)NC(=O)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.59
SCN5A Q14524 1/20 0.59
MMP3 P08254 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
PLK1 P53350 1/20 0.56
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
DEGS1 O15121 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 2/20 0.47
AGTR1 P30556 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL7110825 0.97 SCN2A (0.56) SCN2ASCN5AMMP3HDAC8PLK1
SCHEMBL5427464 0.84 SCN2A (0.56) SCN2ASCN5AMMP3HDAC8PLK1
SCHEMBL1794660 0.83 MMP3 (0.65) SCN2ASCN5AMMP3HDAC8PLK1
SCHEMBL1605906 0.82 HDAC8 (0.74) MMP3HDAC8PLK1ALDH1A1KDM4E
SCHEMBL7111671 0.82 SCN2A (0.54) SCN2ASCN5AMMP3HDAC8PLK1
SCHEMBL3100592 0.81 MMP3 (0.62) SCN2ASCN5AMMP3HDAC8PLK1
SCHEMBL30071626 0.81 MMP3 (0.62) SCN2ASCN5AMMP3HDAC8PLK1
Hydrochloric Acid SCHEMBL7110032 0.81 SCN2A (0.53) SCN2ASCN5AMMP3HDAC8PLK1
Hydrochloric Acid SCHEMBL7110749 0.80 MMP3 (0.61) SCN2ASCN5AMMP3HDAC8PLK1
Guanidine SCHEMBL27689978 0.80 MMP3 (0.61) SCN2ASCN5AMMP3HDAC8PLK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6600072-B2 Cardiovascular disorders; antiischemic agents; antiarrhythmia agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-07-29 US claimed
US-20030013760-A1 Substituted 1-naphthoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them BRENDEL JOACHIM (DE) 2003-01-16 US claimed

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-20030013760-A1 Substituted 1-naphthoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them TNNI3, TNNT2, SCN1B SCN2A 37/4885SCN5A 50/4885MMP3 2582/4885

“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.