SCHEMBL1672467

SCHEMBL1672467

Cc1ccc2c(Cl)c(C(=O)NN=Cc3cc(Br)c(O)c(Br)c3)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.62
RAB9A P51151 7/20 0.62
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
TP53 P04637 1/20 0.62
PPP1CA P62136 2/20 0.55
NPC1 O15118 6/20 0.53
LMNA P02545 4/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
OGG1 O15527 1/20 0.50
HPGD P15428 1/20 0.50
BCL2L1 Q07817 1/20 0.50
MCL1 Q07820 1/20 0.50
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47

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
SCHEMBL1672464 1.00 MAPT (0.62) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3633236 0.88 PPP1CA (0.72) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3633237 0.88 PPP1CA (0.72) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1669270 0.86 OGG1 (0.67) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1669273 0.86 OGG1 (0.67) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1669427 0.76 MEN1 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL3632612 0.76 MEN1 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL14819825 0.73 SMN1; SMN2 (0.57) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1669980 0.71 KMT2A (0.57) MAPTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1669983 0.71 KMT2A (0.57) MAPTRAB9AALDH1A1KDM4ESMN1; 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 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-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
EP-2490696-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2012-08-29 EP disclosed
WO-2011048070-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-04-28 WO disclosed
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 EP disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 WO 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 MAPT 4663/4885RAB9A 2267/4885ALDH1A1 2054/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 MAPT 4853/4885RAB9A 1161/4885ALDH1A1 2856/4885

“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.