SCHEMBL5854932

SCHEMBL5854932

CC(C)(C)c1cc(NC(=O)c2ccc(-c3ccc(NC(=N)c4cccs4)cc3)o2)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
PTPN1 P18031 3/20 0.44
PTPN11 Q06124 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SCN10A Q9Y5Y9 2/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL4312653 0.80 ALOX5 (0.58) MEN1KMT2ATDP1MAPTKDM4E
SCHEMBL4310913 0.80 TDP1 (0.49) MEN1KMT2ATDP1MAPTKDM4E
SCHEMBL4395128 0.80 ALOX5 (0.54) MEN1KMT2ATDP1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4322383 0.79 TDP1 (0.48) MEN1KMT2ATDP1MAPTKDM4E
Iodide SCHEMBL4310060 0.79 TDP1 (0.48) MEN1KMT2ATDP1MAPTKDM4E
Hydrochloric Acid SCHEMBL4313293 0.79 ALOX5 (0.56) MEN1KMT2ATDP1MAPTKDM4E
SCHEMBL4320090 0.79 SCN10A (0.52) MEN1KMT2ATDP1PTPN1PTPN11
Hydrochloric Acid SCHEMBL4400401 0.79 ALOX5 (0.52) MEN1KMT2ATDP1SMN1; SMN2NPSR1
SCHEMBL4322437 0.78 ALOX5 (0.44) MEN1KMT2ATDP1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL4319061 0.77 ALOX5 (0.44) MEN1KMT2ATDP1SMN1; SMN2TP53

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-6630461-B2 Enyme inhibitors for treating neurodegenerative diseases; inhibition of lipidic peroxidation and nitrogen oxide synthase in warm-blooded animal; for treatment of cardiovascular/brain disorders SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-10-07 US claimed
US-6335445-B1 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) 2002-01-01 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-20050043397-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TYR, MB, F2 MEN1 3248/4885KMT2A 1796/4885TDP1 2200/4885

“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.