SCHEMBL1153070

SCHEMBL1153070

COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN)c2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 4/20 0.75
▸ TP53 P04637 3/20 0.75
▸ CYP3A4 P08684 3/20 0.75
▸ CASP1 P29466 3/20 0.75
▸ CASP7 P55210 3/20 0.75
▸ HBB P68871 3/20 0.75
▸ HSD17B10 Q99714 3/20 0.75
▸ CYP1A2 P05177 2/20 0.75
▸ CYP2D6 P10635 2/20 0.75
▸ TSHR P16473 2/20 0.75
▸ BRCA1 P38398 2/20 0.75
▸ HIF1A Q16665 2/20 0.75
▸ NPC1 O15118 1/20 0.75
▸ PRNP P04156 1/20 0.75
▸ CHRM2 P08172 1/20 0.75
▸ CHRM4 P08173 1/20 0.75
▸ ABCB1 P08183 1/20 0.75
▸ HTR1A P08908 1/20 0.75
▸ CHRM5 P08912 1/20 0.75
▸ ADRA2A P08913 1/20 0.75

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
SCHEMBL8891198 0.92 USP2 (0.81) USP2TP53CYP3A4CASP1CASP7
Hydrochloric Acid SCHEMBL8899590 0.91 KMT2A (0.82) USP2TP53CYP3A4CASP1CASP7
SCHEMBL21028180 0.91 USP2 (0.80) USP2TP53CYP3A4CASP1CASP7
SCHEMBL24916533 0.91 USP2 (0.77) USP2TP53CYP3A4CASP1CASP7
SCHEMBL13340072 0.88 USP2 (0.76) USP2TP53CYP3A4CASP1CASP7
SCHEMBL6199957 0.87 USP2 (0.58) USP2TP53CYP3A4CASP1CASP7
Hydrochloric Acid SCHEMBL6201590 0.86 KMT2A (0.59) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL1817364 0.86 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL17704776 0.86 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7
SCHEMBL6523301 0.86 ADORA2A (0.61) USP2TP53CYP3A4CASP1CASP7

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 4 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
WO-2010139982-A1 INDOLE DERIVATIVES FOR THE STIMULATION OF STEM CELL PROLIFERATION THE UNIVERSITY OF SHEFFIELD (GB) 2010-12-09 — — 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 (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 USP2 3496/4885TP53 3713/4885CYP3A4 4074/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS USP2 3496/4885TP53 3713/4885CYP3A4 4074/4885

“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.

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