SCHEMBL9104828

SCHEMBL9104828

CCCN(CCC)c1nc(N)nc(Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PDE4A P27815 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CRHR1 P34998 2/20 0.34
SLC29A1 Q99808 4/20 0.33
DHFR P00374 2/20 0.33

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
SCHEMBL31530718 0.86 MAPT (0.55) KMT2ALMNAMEN1L3MBTL1MAPT
SCHEMBL11735724 0.86 MAPT (0.50) KMT2ALMNAMEN1L3MBTL1MAPT
SCHEMBL2780687 0.86 MAPT (0.50) KMT2ALMNAMEN1L3MBTL1MAPT
SCHEMBL15720572 0.85 LMNA (0.40) KMT2ALMNAMEN1L3MBTL1MAPT
SCHEMBL571574 0.84 MAPT (0.51) KMT2ALMNAMEN1L3MBTL1MAPT
SCHEMBL15599091 0.83 PDE4A (0.41) KMT2ALMNAMEN1L3MBTL1MAPT
SCHEMBL16094585 0.77 MAPT (0.43) KMT2ALMNAMEN1L3MBTL1MAPT
SCHEMBL3300115 0.77 SLC29A1 (0.53) KMT2ALMNAMEN1L3MBTL1MAPT
SCHEMBL9751562 0.74 PDE4A (0.43) KMT2AMAPTSMN1; SMN2PDE4AKDM4E
SCHEMBL7054559 0.74 HSP90AB1 (0.46) KMT2ALMNAMEN1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160256463-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS INC (US) 2016-09-08 US disclosed
US-9351972-B2 Compounds as respiratory stimulants for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20150374706-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. 2015-12-31 US disclosed
US-9162992-B2 Compounds and compositions for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
EP-2855438-A2 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES Galleon Pharmaceuticals, Inc. (US) 2015-04-08 EP disclosed
US-20140371224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. 2014-12-18 US disclosed
WO-2013181217-A2 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. (US) 2013-12-05 WO disclosed
US-20120295911-A1 Novel Compounds and Compositions for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-11-22 US disclosed
US-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-06-07 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 (5 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-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases MTNR1B, CHRM3, ADRA2C KMT2A 1945/4885LMNA 2124/4885MEN1 2860/4885
US-20120295911-A1 Novel Compounds and Compositions for Treatment of Breathing Control Disorders or Diseases PER2, SMPD4, NDUFB5 KMT2A 3102/4885LMNA 719/4885MEN1 2898/4885
US-20140371224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES PER2, MTNR1B, NDUFB5 KMT2A 2815/4885LMNA 843/4885MEN1 3195/4885
US-20160256463-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES P2RX5, HRH2, ADRA2C KMT2A 1802/4885LMNA 3628/4885MEN1 4452/4885
US-20150374706-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES PER2, SMPD4, NDUFB5 KMT2A 3102/4885LMNA 719/4885MEN1 2898/4885

“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.