Sugi Predict

Sugi Predict / Compounds / SCHEMBL1152441

SCHEMBL1152441

SCHEMBL1152441

COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3cnccn3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 15/20 0.72
▸ SSTR5 P35346 3/20 0.72
▸ EED O75530 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ GAA P10253 2/20 0.72
▸ MEN1 O00255 1/20 0.72
▸ MLNR O43193 1/20 0.72
▸ CACNA1F O60840 1/20 0.72
▸ USP2 O75604 1/20 0.72
▸ ABCB11 O95342 1/20 0.72
▸ EGFR P00533 1/20 0.72
▸ HLA-A P04439 1/20 0.72
▸ ERBB2 P04626 1/20 0.72
▸ TP53 P04637 1/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ LCK P06239 1/20 0.72
▸ FYN P06241 1/20 0.72
▸ CHRM2 P08172 1/20 0.72
▸ CHRM4 P08173 1/20 0.72
▸ ABCB1 P08183 1/20 0.72

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
Oxalic Acid SCHEMBL9630286 0.92 EED (0.67) KCNH2SSTR5EEDLMNAGAA
Oxalic Acid SCHEMBL9630290 0.92 EED (0.67) KCNH2SSTR5EEDLMNAGAA
SCHEMBL20715315 0.87 KCNH2 (0.87) KCNH2SSTR5EEDLMNAGAA
SCHEMBL12045363 0.86 KCNH2 (0.88) KCNH2SSTR5EEDLMNAGAA
SCHEMBL10428767 0.85 KCNH2 (0.72) KCNH2SSTR5EEDLMNAGAA
SCHEMBL23696975 0.85 KCNH2 (0.85) KCNH2SSTR5EEDLMNAGAA
Bromide SCHEMBL10428953 0.85 KCNH2 (0.71) KCNH2SSTR5EEDLMNAGAA
SCHEMBL9540338 0.84 KCNH2 (0.51) KCNH2SSTR5EEDLMNAGAA
Water SCHEMBL11485995 0.84 KCNH2 (0.84) KCNH2SSTR5EEDLMNAGAA
SCHEMBL23696973 0.84 KCNH2 (0.84) KCNH2SSTR5EEDLMNAGAA

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 6 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
EP-0151824-B1 N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-04-04 — — EP disclosed
US-4588722-A ANTIHISTAMINES, ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1986-05-13 — — US disclosed
EP-0151824-A2 N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 — — 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 KCNH2 2148/4885SSTR5 4167/4885EED 3525/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS KCNH2 2148/4885SSTR5 4167/4885EED 3525/4885

“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.