Sugi Predict

Sugi Predict / Compounds / SCHEMBL1152555

SCHEMBL1152555

SCHEMBL1152555

COc1ccc(NC(=S)NCCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 10/20 0.73
▸ SSTR5 P35346 5/20 0.73
▸ HRH1 P35367 3/20 0.73
▸ EED O75530 2/20 0.73
▸ LMNA P02545 2/20 0.73
▸ GAA P10253 2/20 0.73
▸ TACR2 P21452 2/20 0.73
▸ TACR1 P25103 2/20 0.73
▸ SMN1; SMN2 Q16637 2/20 0.73
▸ HRH4 Q9H3N8 2/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ MLNR O43193 1/20 0.73
▸ CACNA1F O60840 1/20 0.73
▸ USP2 O75604 1/20 0.73
▸ ABCB11 O95342 1/20 0.73
▸ EGFR P00533 1/20 0.73
▸ HLA-A P04439 1/20 0.73
▸ ERBB2 P04626 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ CYP1A2 P05177 1/20 0.73

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
SCHEMBL1152542 0.92 SSTR5 (0.69) KCNH2SSTR5HRH1EEDLMNA
SCHEMBL1152544 0.86 SSTR5 (0.61) KCNH2SSTR5HRH1EEDLMNA
Astemizole SCHEMBL4385 0.85 KCNH2 (1.00) KCNH2SSTR5HRH1EEDLMNA
SCHEMBL25570238 0.85 SSTR5 (1.00) KCNH2SSTR5HRH1EEDLMNA
Water SCHEMBL1151866 0.84 SSTR5 (0.68) KCNH2SSTR5HRH1EEDLMNA
SCHEMBL10428784 0.84 SSTR5 (0.75) KCNH2SSTR5HRH1EEDLMNA
SCHEMBL1151618 0.84 SSTR5 (0.63) KCNH2SSTR5HRH1EEDLMNA
SCHEMBL11470119 0.84 SSTR5 (0.63) KCNH2SSTR5HRH1EEDLMNA
Water SCHEMBL10428807 0.84 SSTR5 (0.75) KCNH2SSTR5HRH1EEDLMNA
SCHEMBL11018002 0.84 SSTR5 (0.77) KCNH2SSTR5HRH1EEDLMNA

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 5 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-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 4167/4885HRH1 2998/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS KCNH2 2148/4885SSTR5 4167/4885HRH1 2998/4885

“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.