SCHEMBL4907784

SCHEMBL4907784

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.52
NPC1 O15118 5/20 0.52
MAPT P10636 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 1/20 0.52
MTOR P42345 3/20 0.50
MCL1 Q07820 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KDM1A O60341 1/20 0.49
GRK2 P25098 1/20 0.48
GRK3 P35626 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL4907788 1.00 HDAC8 (0.52) HDAC8NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4907770 1.00 HDAC8 (0.52) HDAC8NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4910489 0.86 SMN1; SMN2 (0.56) HDAC8NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4910470 0.86 SMN1; SMN2 (0.56) HDAC8NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4910494 0.86 SMN1; SMN2 (0.56) HDAC8NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL684482 0.82 KDM1A (0.61) HDAC8NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1669378 0.80 KMT2A (0.68) HDAC8MAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL1669374 0.80 KMT2A (0.68) HDAC8MAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL5809141 0.79 GAA (0.65) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL1669458 0.77 MEN1 (0.53) HDAC8NPC1MAPTRAB9ASMN1; 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 4 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-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

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 HDAC8 3909/4885NPC1 90/4885MAPT 4663/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 HDAC8 4032/4885NPC1 228/4885MAPT 4853/4885

“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.