SCHEMBL1152028

SCHEMBL1152028

Nc1ccncc1NC(=S)NCCN1CCC(Nc2nc3cccnc3n2Cc2ccccn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 3/20 0.34
KCNH2 Q12809 2/20 0.34
ACHE P22303 1/20 0.34
CCR2 P41597 1/20 0.34
NR4A2 P43354 1/20 0.34
DRD4 P21917 1/20 0.34
QPCT Q16769 1/20 0.34
SSTR5 P35346 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL1152449 0.89 KCNH2 (0.46) HRH1HTTTP53MAPTSMN1; SMN2
SCHEMBL10551752 0.87 SLC6A9 (0.39) HRH1KDM4EHTTTP53MAPT
SCHEMBL9631303 0.86 ROCK2 (0.35) TP53ROCK2ROCK1CCR2QPCT
SCHEMBL10382581 0.86 SLC6A9 (0.36) HRH1KDM4EHTTTP53MAPT
SCHEMBL9629472 0.84 SLC6A9 (0.38) TP53MAPTROCK2ROCK1CCR2
SCHEMBL9629497 0.83 ROCK2 (0.34) KDM4EHTTTP53MAPTROCK2
SCHEMBL9564809 0.80 KCNH2 (0.42) HRH1HTTTP53MAPTSMN1; SMN2
SCHEMBL1151619 0.80 SSTR5 (0.59) HRH1HTTTP53MAPTSMN1; SMN2
SCHEMBL1152716 0.79 KCNH2 (0.41) HRH1KDM4EHTTTP53MAPT
SCHEMBL9303034 0.79 KCNH2 (0.40) HRH1HTTTP53MAPTSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-RE33833-E Intermediates for antihistamines, antiserotonine agents JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-25 US disclosed
US-4820822-A ANTIHISTAMINE, ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA (BE) 1989-04-11 US disclosed
US-4760074-A Novel-N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1988-07-26 US disclosed
EP-0099139-B1 NOVEL N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1987-02-11 EP disclosed
US-4556660-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-03 US disclosed
EP-0099139-A2 Novel N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1984-01-25 EP 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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS HRH1 2998/4885KDM4E 4345/4885HTT 2368/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS HRH1 2998/4885KDM4E 4345/4885HTT 2368/4885

“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.