SCHEMBL4912976

SCHEMBL4912976

O=C(NN=C(Cc1ccccc1)c1cc(Br)c(O)c(Br)c1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
NPC1 O15118 2/20 0.44
SMPD1 P17405 1/20 0.44
AKR1C3 P42330 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL4912974 1.00 HDAC8 (0.51) HDAC8ALDH1A1MAPTCASP3SENP7
SCHEMBL1669309 1.00 HDAC8 (0.51) HDAC8ALDH1A1MAPTCASP3SENP7
SCHEMBL4910489 0.84 SMN1; SMN2 (0.56) HDAC8ALDH1A1MAPTCASP3SENP7
SCHEMBL4910470 0.84 SMN1; SMN2 (0.56) HDAC8ALDH1A1MAPTCASP3SENP7
SCHEMBL4910494 0.84 SMN1; SMN2 (0.56) HDAC8ALDH1A1MAPTCASP3SENP7
SCHEMBL1669949 0.78 MAPT (0.54) HDAC8ALDH1A1MAPTCASP3SENP7
SCHEMBL1670113 0.76 MAPT (0.70) HDAC8ALDH1A1MAPTCASP3SENP7
SCHEMBL1670110 0.76 MAPT (0.70) HDAC8ALDH1A1MAPTCASP3SENP7
SCHEMBL1669310 0.74 MAPT (0.53) HDAC8ALDH1A1MAPTCASP3SENP7
SCHEMBL1669397 0.74 MEN1 (0.63) ALDH1A1MAPTCASP3SENP7CYP1A2

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 3909/4885ALDH1A1 2054/4885MAPT 4663/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 HDAC8 4032/4885ALDH1A1 2856/4885MAPT 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.