SCHEMBL5852597

SCHEMBL5852597

CC(C)(C)c1cc(NC(=O)c2cccn2-c2ccc(NCC3=CC=CS3=N)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 3/20 0.38
SCN3A Q9NY46 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR1H4 Q96RI1 5/20 0.34
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
AHSA1 O95433 1/20 0.31
RECQL P46063 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
BCL2L1 Q07817 1/20 0.30

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
Iodide SCHEMBL6136629 0.99 GPX4 (0.38) GPX4SCN3AALDH1A1GAATDP1
SCHEMBL4315656 0.76 GPX4 (0.46) GPX4SCN3AALDH1A1GAATDP1
SCHEMBL7611372 0.75 SCN10A (0.41) ALDH1A1GAATDP1NR1H4MAPT
Iodide SCHEMBL6136762 0.74 SCN10A (0.41) ALDH1A1GAATDP1NR1H4MAPT
Hydrochloric Acid SCHEMBL6136587 0.74 SCN10A (0.41) ALDH1A1GAATDP1NR1H4MAPT
SCHEMBL4311121 0.73 MEN1 (0.44) GPX4SCN3AALDH1A1GAATDP1
SCHEMBL4462886 0.73 MEN1 (0.45) GPX4SCN3AALDH1A1GAATDP1
Iodide SCHEMBL4315876 0.72 MEN1 (0.43) GPX4SCN3AALDH1A1GAATDP1
SCHEMBL7611004 0.70 MAOB (0.30)
SCHEMBL7612304 0.70 ALDH1A1 (0.33) ALDH1A1GAATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122535-B2 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-10-17 US claimed
US-20050043397-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2005-02-24 US claimed
US-20020042511-A1 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-04-11 US claimed
US-20020042511-A1 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-04-11 US 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 (2 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-20020042511-A1 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia XDH, NOS2, NOS3 GPX4 167/4885SCN3A 468/4885ALDH1A1 541/4885
US-20050043397-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TYR, MB, F2 GPX4 653/4885SCN3A 773/4885ALDH1A1 323/4885

“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.