SCHEMBL4910470

SCHEMBL4910470

C/C(=N\NC(=O)c1cccc(Oc2ccccc2)c1)c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.56
NPC1 O15118 6/20 0.56
RAB9A P51151 5/20 0.56
MTOR P42345 5/20 0.56
HDAC8 Q9BY41 1/20 0.56
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CASP3 P42574 3/20 0.52
SENP7 Q9BQF6 3/20 0.52
CYP3A4 P08684 2/20 0.52
SENP6 Q9GZR1 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL4910489 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMTORHDAC8
SCHEMBL4910494 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMTORHDAC8
SCHEMBL4907788 0.86 HDAC8 (0.52) SMN1; SMN2NPC1RAB9AMTORHDAC8
SCHEMBL4907770 0.86 HDAC8 (0.52) SMN1; SMN2NPC1RAB9AMTORHDAC8
SCHEMBL4907784 0.86 HDAC8 (0.52) SMN1; SMN2NPC1RAB9AMTORHDAC8
SCHEMBL4912974 0.84 HDAC8 (0.51) SMN1; SMN2NPC1RAB9AHDAC8CYP1A2
SCHEMBL4912976 0.84 HDAC8 (0.51) SMN1; SMN2NPC1RAB9AHDAC8CYP1A2
SCHEMBL1669309 0.84 HDAC8 (0.51) SMN1; SMN2NPC1RAB9AHDAC8CYP1A2
SCHEMBL684482 0.82 KDM1A (0.61) SMN1; SMN2NPC1RAB9AMTORHDAC8
SCHEMBL1670113 0.80 MAPT (0.70) SMN1; SMN2HDAC8CYP1A2CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US claimed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-20120219543-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2012-08-30 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 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-20120219543-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS CFTR, IAPP, GPR119 SMN1; SMN2 1964/4885NPC1 90/4885RAB9A 2267/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 SMN1; SMN2 4722/4885NPC1 228/4885RAB9A 1161/4885

“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.