SCHEMBL430455

SCHEMBL430455

COc1cc(Br)ccc1-c1nnc(C)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
BRD4 O60885 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GUSB P08236 3/20 0.41
GAA P10253 2/20 0.41
LRRK2 Q5S007 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39

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
SCHEMBL12918690 0.84 GUSB (0.49) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL16442405 0.81 IMPDH2 (0.49) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL4281887 0.81 GUSB (0.60) ALDH1A1LMNABRD4GUSB
SCHEMBL4856880 0.81 GUSB (0.49) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL7820612 0.80 SMN1; SMN2 (0.49) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL430069 0.78 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL15271912 0.78 BRD4 (0.41) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL2898396 0.78 NOTUM (0.43) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL13393606 0.77 BRD4 (0.63) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL15272014 0.75 KDM4E (0.52) ALDH1A1LMNASMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822956-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2015-01-14 EP disclosed
US-8575150-B2 Triazole derivatives for treatment of Alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-20130261077-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-03 US disclosed
WO-2013134415-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-12 WO disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 US disclosed
EP-2378879-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-10-26 EP disclosed
WO-2010071741-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-06-24 WO disclosed
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
EP-1863484-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2007-12-12 EP disclosed
WO-2006100588-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-09-28 WO disclosed
WO-2006100588-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-09-28 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 (3 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-20130261077-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS MPI, MANBA, MAN2A1 ALDH1A1 1603/4885LMNA 3328/4885SMN1; SMN2 3742/4885
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, PRLHR, KISS1R ALDH1A1 3792/4885LMNA 2692/4885SMN1; SMN2 2638/4885
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MAPT, BACE1, APP ALDH1A1 645/4885LMNA 3965/4885SMN1; SMN2 2221/4885

“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.